*HEADER    OXIDOREDUCTASE                          22-JAN-15   2MYG              
*TITLE     SOLUTION STRUCTURE OF THE DITHIOLIC GLUTAREDOXIN 2-C-GRX1 FROM THE    
*TITLE    2 PATHOGEN TRYPANOSOMA BRUCEI BRUCEI                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLUTAREDOXIN, PUTATIVE;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI GAMBIENSE;                   
*SOURCE   3 ORGANISM_TAXID: 679716;                                              
*SOURCE   4 STRAIN: MHOM/CI/86/DAL972;                                           
*SOURCE   5 GENE: TBGDAL_XI1450;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-TRX1B                                  
*KEYWDS    GLUTAREDOXIN, TRYPANOTHIONE, TRYPANOSOMES, ELECTRON TRANSPORT         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.STURLESE, M.STEFANI, B.MANTA, S.MAMMI, M.COMINI, M.BELLANDA         
*REVDAT   1   10-FEB-16 2MYG    0                                                


#
#  62 TYR HD1 HD2    62 TYR H 3.36 
 &rst iat= 969, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 977, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    62 TYR HD1 HD2  2.96  
 &rst iat= -1, -1, r1= 3.05, r2= 3.55, r3= 7.95, r4= 8.45,
 igr1= 963, 964, 965,   igr2= 977, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HD1 HD2    62 TYR HA 3.03 
 &rst iat= 971, -1, r1= 2.90, r2= 3.40, r3= 3.40, r4= 3.90,
 igr1= 0,  igr2= 977, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    62 TYR HD1 HD2  4.08  
 &rst iat= -1, -1, r1= 4.40, r2= 4.90, r3= 9.30, r4= 9.80,
 igr1= 910, 908, 909,   igr2= 977, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HD1 HD2    28 ARG HG3 3.69 
 &rst iat= -1, 418, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 370, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HD1 HD2    25 TYR H 3.64 
 &rst iat= 362, -1, r1= 3.59, r2= 4.09, r3= 4.09, r4= 4.59,
 igr1= 0,  igr2= 370, 379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HD1 HD2    25 TYR HA 3.03 
 &rst iat= 364, -1, r1= 2.90, r2= 3.40, r3= 3.40, r4= 3.90,
 igr1= 0,  igr2= 370, 379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 PRO 3HG 2HG    25 TYR HD1 HD2  4.04  
 &rst iat= -1, -1, r1= 4.03, r2= 4.53, r3= 8.93, r4= 9.43,
 igr1= 353, 352,   igr2= 370, 379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    63 LYS H 4.43 
 &rst iat= -1, 990, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    64 HID H 4.05 
 &rst iat= -1, 1012, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    65 GLU HA 3.21 
 &rst iat= -1, 1031, r1= 3.10, r2= 3.60, r3= 3.60, r4= 4.10,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    63 LYS HA 3.29 
 &rst iat= -1, 992, r1= 3.19, r2= 3.69, r3= 3.69, r4= 4.19,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    59 TYR H 4.40 
 &rst iat= 921, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 938, 929,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    59 TYR HA 2.94 
 &rst iat= 923, -1, r1= 2.80, r2= 3.30, r3= 3.30, r4= 3.80,
 igr1= 0,  igr2= 938, 929,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    60 GLN HA 3.67 
 &rst iat= -1, 944, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    60 GLN 2HG 3HG  3.72  
 &rst iat= -1, -1, r1= 3.68, r2= 4.18, r3= 8.58, r4= 9.08,
 igr1= 938, 929,   igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    65 GLU 2HG 3HG  2.97  
 &rst iat= -1, -1, r1= 2.83, r2= 3.33, r3= 7.73, r4= 8.23,
 igr1= 938, 929,   igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    65 GLU HB3 3.44 
 &rst iat= -1, 1034, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    65 GLU HB2 4.06 
 &rst iat= -1, 1033, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    20 TRP HA 3.89 
 &rst iat= 285, -1, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    44 TYR HA 2.82 
 &rst iat= 686, -1, r1= 2.67, r2= 3.17, r3= 3.17, r4= 3.67,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    19 SER HB3 3.58 
 &rst iat= 277, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    47 LYS HE2 4.52 
 &rst iat= -1, 746, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 692, 701,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    47 LYS HG3 4.48 
 &rst iat= -1, 741, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 692, 701,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    44 TYR HD1 HD2  3.60  
 &rst iat= -1, -1, r1= 3.82, r2= 4.32, r3= 8.72, r4= 9.22,
 igr1= 663, 661, 662,   igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HD1 HD2    77 ILE H 3.67 
 &rst iat= -1, 1211, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 1199, 1207,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HD1 HD2    76 PHE HA 2.96 
 &rst iat= 1193, -1, r1= 2.82, r2= 3.32, r3= 3.32, r4= 3.82,
 igr1= 0,  igr2= 1199, 1207,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    18 PHE HA 4.03 
 &rst iat= 254, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 268, 260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    43 HID HB3 3.85 
 &rst iat= -1, 672, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    69 ALA 1HB 2HB 3HB  3.59  
 &rst iat= -1, -1, r1= 3.81, r2= 4.31, r3= 8.71, r4= 9.21,
 igr1= 268, 260,   igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    45 VAL 3HG1 2HG1 1HG1  3.14  
 &rst iat= -1, -1, r1= 3.27, r2= 3.77, r3= 8.17, r4= 8.67,
 igr1= 268, 260,   igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    58 ILE 2HD1 1HD1 3HD1  4.02  
 &rst iat= -1, -1, r1= 4.33, r2= 4.83, r3= 9.23, r4= 9.73,
 igr1= 268, 260,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    18 PHE HD2 HD1  4.45  
 &rst iat= -1, -1, r1= 4.84, r2= 5.34, r3= 9.74, r4= 10.24,
 igr1= 134, 133, 135,   igr2= 268, 260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    18 PHE H 3.59 
 &rst iat= 252, -1, r1= 3.53, r2= 4.03, r3= 4.03, r4= 4.53,
 igr1= 0,  igr2= 268, 260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    71 PHE HD1 HD2  4.24  
 &rst iat= -1, -1, r1= 4.26, r2= 4.76, r3= 9.16, r4= 9.66,
 igr1= 268, 260,   igr2= 1125, 1133,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    43 HID HB2 4.30 
 &rst iat= -1, 671, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    43 HID H 4.46 
 &rst iat= -1, 667, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 2HB 3HB    18 PHE HE1 HE2  4.55  
 &rst iat= -1, -1, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 107, 108,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    18 PHE HZ 4.06 
 &rst iat= -1, 264, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HE1 HE2    71 PHE HD1 HD2  4.32  
 &rst iat= -1, -1, r1= 4.35, r2= 4.85, r3= 9.25, r4= 9.75,
 igr1= 262, 266,   igr2= 1125, 1133,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    18 PHE HE1 HE2  3.57  
 &rst iat= -1, -1, r1= 4.31, r2= 4.81, r3= 4.81, r4= 5.31,
 igr1= 69, 70, 71,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    18 PHE HE1 HE2  3.85  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 228, 227, 226,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    18 PHE HE1 HE2  3.62  
 &rst iat= -1, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 134, 133, 135,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE HA  71 PHE HZ 4.56 
 &rst iat=  904, 1129, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    71 PHE HZ 3.74 
 &rst iat= -1, 1129, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 910, 908, 909,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    71 PHE HZ 4.49 
 &rst iat= -1, 1129, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    71 PHE HZ 3.62 
 &rst iat= -1, 1129, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG12  18 PHE HZ 4.35 
 &rst iat=  73, 264, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE HZ  78 GLY HA3 3.94 
 &rst iat=  1203, 1233, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET 2HB 3HB    18 PHE HZ 3.88 
 &rst iat= -1, 264, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 107, 108,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    18 PHE HZ 4.41 
 &rst iat= -1, 264, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    18 PHE HZ 4.06 
 &rst iat= -1, 264, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 228, 227, 226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    18 PHE HZ 4.04 
 &rst iat= -1, 264, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HD1  21 VAL H 4.32 
 &rst iat=  291, 307, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HD1  45 VAL H 4.20 
 &rst iat=  291, 705, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HA  20 TRP HD1 2.90 
 &rst iat=  285, 291, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HD1  44 TYR HA 4.35 
 &rst iat=  291, 686, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP 2HB 3HB    20 TRP HD1 3.66 
 &rst iat= -1, 291, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 287, 288,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HD1  46 ASP HB2 3.51 
 &rst iat=  291, 725, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    20 TRP HD1 4.56 
 &rst iat= 291, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    20 TRP HD1 2.82 
 &rst iat= 291, -1, r1= 2.89, r2= 3.39, r3= 3.39, r4= 3.89,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HD1  46 ASP HB3 4.24 
 &rst iat=  291, 726, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HE2 HE1    19 SER HB3 3.51 
 &rst iat= 277, -1, r1= 3.44, r2= 3.94, r3= 3.94, r4= 4.44,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HE2 HE1    19 SER HB2 3.44 
 &rst iat= 276, -1, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    44 TYR HE2 HE1  4.28  
 &rst iat= -1, -1, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 659, 657, 658,   igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    44 TYR HE2 HE1  3.05  
 &rst iat= -1, -1, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 663, 661, 662,   igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HE1 HE2    25 TYR HA 4.47 
 &rst iat= 364, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 372, 377,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 PRO 3HG 2HG    25 TYR HE1 HE2  4.18  
 &rst iat= -1, -1, r1= 4.19, r2= 4.69, r3= 9.09, r4= 9.59,
 igr1= 353, 352,   igr2= 372, 377,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HB2  34 HID HD2 3.79 
 &rst iat=  504, 532, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HE2 HE1    76 PHE HB2 3.98 
 &rst iat= -1, 1195, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 984, 979,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    62 TYR HE2 HE1  4.41  
 &rst iat= -1, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 913, 912,   igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    62 TYR HE2 HE1  3.04  
 &rst iat= -1, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 963, 964, 965,   igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    62 TYR HE2 HE1  3.67  
 &rst iat= -1, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 910, 908, 909,   igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HE1 HE2    65 GLU 2HG 3HG  3.14  
 &rst iat= -1, -1, r1= 3.02, r2= 3.52, r3= 7.92, r4= 8.42,
 igr1= 931, 936,   igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HE1 HE2    63 LYS 3HE 2HE  4.47  
 &rst iat= -1, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 931, 936,   igr2= 1004, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HE1 HE2    65 GLU HB3 3.72 
 &rst iat= -1, 1034, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 931, 936,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HA  96 LEU CG 4.98 
 &rst iat=  572, 1482, r1= 4.48, r2= 4.98,
 r3= 9.38, r4= 9.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG HA  58 ILE H 4.00 
 &rst iat=  858, 902, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    55 ARG HA 4.50 
 &rst iat= 858, -1, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 0,  igr2= 913, 912,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    55 ARG HA 3.73 
 &rst iat= 858, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG HA  55 ARG HD3 5.12 
 &rst iat=  858, 867, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  34 HID H 4.49 
 &rst iat=  446, 519, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  34 HID HD2 4.94 
 &rst iat=  446, 532, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  31 LYS HA 4.65 
 &rst iat=  446, 461, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  30 GLU HG3 3.69 
 &rst iat=  446, 452, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  30 GLU HG2 3.44 
 &rst iat=  446, 451, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  33 LEU HB2 3.55 
 &rst iat=  446, 504, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  33 LEU HB3 4.33 
 &rst iat=  446, 505, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  33 LEU CG 4.78 
 &rst iat=  446, 506, r1= 4.28, r2= 4.78,
 r3= 9.18, r4= 9.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    30 GLU HA 4.88 
 &rst iat= -1, 446, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    17 VAL H 4.55 
 &rst iat= 236, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    19 SER HB2 5.45 
 &rst iat= 276, -1, r1= 6.05, r2= 6.55, r3= 6.55, r4= 7.05,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    30 GLU HG2 3.94 
 &rst iat= 451, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    42 VAL 3HG1 1HG1 2HG1  3.87  
 &rst iat= -1, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 628, 629,   igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    42 VAL HA 3.35 
 &rst iat= 653, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    17 VAL HB 3.38 
 &rst iat= 240, -1, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    44 TYR HA 4.99 
 &rst iat= -1, 686, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 663, 661, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    17 VAL H 5.04 
 &rst iat= 236, -1, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    19 SER HB2 3.72 
 &rst iat= 276, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    17 VAL HB 3.75 
 &rst iat= 240, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    42 VAL 3HG2 1HG2 2HG2  5.00  
 &rst iat= -1, -1, r1= 6.71, r2= 7.21, r3= 7.21, r4= 7.71,
 igr1= 248, 247, 246,   igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    42 VAL 3HG2 1HG2 2HG2  4.13  
 &rst iat= -1, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 633, 631, 632,   igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG1 2HG1    72 ILE HA 3.47 
 &rst iat= 1139, -1, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 0,  igr2= 1148, 1147,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    72 ILE HA 3.35 
 &rst iat= 1139, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 1145, 1144, 1143,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL HA  71 PHE HB3 5.50 
 &rst iat=  206, 1122, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    15 VAL HA 4.63 
 &rst iat= 206, -1, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG1 2HG1    15 VAL HA 4.20 
 &rst iat= 206, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 1148, 1147,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL HA  15 VAL CB 3.17 
 &rst iat=  206, 207, r1= 2.67, r2= 3.17,
 r3= 7.57, r4= 8.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR HA  38 LYS H 3.04 
 &rst iat=  572, 584, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR HA  37 THR HB 3.02 
 &rst iat=  572, 574, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HA  43 HID H 2.88 
 &rst iat=  653, 667, r1= 2.38, r2= 2.88,
 r3= 2.88, r4= 3.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL H  42 VAL HA 3.56 
 &rst iat=  236, 653, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  42 VAL HA 4.92 
 &rst iat=  254, 653, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    42 VAL HA 3.43 
 &rst iat= 653, -1, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    42 VAL HA 5.02 
 &rst iat= -1, 653, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 248, 247, 246,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER 3HB 2HB    8 SER HA 2.81 
 &rst iat= 94, -1, r1= 2.65, r2= 3.15, r3= 3.15, r4= 3.65,
 igr1= 0,  igr2= 97, 96,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER HA  11 LYS HB2 3.74 
 &rst iat=  94, 143, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    17 VAL HA 3.52 
 &rst iat= 238, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 244, 243, 242,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HA  14 LYS HG3 3.36 
 &rst iat=  184, 190, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HA  15 VAL CB 5.21 
 &rst iat=  184, 207, r1= 4.71, r2= 5.21,
 r3= 9.61, r4= 10.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HA  14 LYS HG2 3.82 
 &rst iat=  184, 189, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL HA  70 ILE HA 3.43 
 &rst iat=  238, 1100, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    17 VAL HA 3.58 
 &rst iat= 238, -1, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 0,  igr2= 248, 247, 246,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    31 LYS HA 3.37 
 &rst iat= 461, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 523, 524,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    31 LYS HA 3.60 
 &rst iat= 461, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 467, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 THR HA  66 THR HB 3.00 
 &rst iat=  1046, 1048, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HA  31 LYS HB3 3.70 
 &rst iat=  412, 464, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HA  31 LYS H 4.04 
 &rst iat=  412, 459, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HA  28 ARG HG3 3.56 
 &rst iat=  412, 418, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HA  28 ARG HG2 3.95 
 &rst iat=  412, 417, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HG 2HG    28 ARG HA 5.06 
 &rst iat= 412, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 467, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    28 ARG HA 4.14 
 &rst iat= -1, 412, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HA  87 ASP H 3.82 
 &rst iat=  1299, 1341, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU HA  86 LEU H 4.60 
 &rst iat=  1299, 1322, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU HA  87 ASP HB3 3.35 
 &rst iat=  1299, 1346, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU 3HG 2HG    84 GLU HA 3.36 
 &rst iat= 1299, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HA  84 GLU HB3 2.92 
 &rst iat=  1299, 1302, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HG  84 GLU HA 4.31 
 &rst iat=  1285, 1299, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    84 GLU HA 4.14 
 &rst iat= -1, 1299, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    5 SER HA 5.49 
 &rst iat= 54, -1, r1= 6.09, r2= 6.59, r3= 6.59, r4= 7.09,
 igr1= 0,  igr2= 87, 88, 86,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 GLU HA  61 ALA H 4.59 
 &rst iat=  889, 959, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU HA  57 GLU HG2 4.00 
 &rst iat=  889, 894, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    57 GLU HA 5.40 
 &rst iat= 889, -1, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    57 GLU HA 5.39 
 &rst iat= -1, 889, r1= 5.97, r2= 6.47, r3= 6.47, r4= 6.97,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HD 2HD    28 ARG HA 4.38 
 &rst iat= 412, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 0,  igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    34 HID HA 3.00 
 &rst iat= 521, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 523, 524,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    34 HID HA 4.41 
 &rst iat= 521, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  5 SER HA  6 ILE H 3.49 
 &rst iat=  54, 63, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    5 SER HA 4.44 
 &rst iat= 54, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU HA  55 ARG HD2 4.23 
 &rst iat=  807, 866, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU 2HB 3HB    52 GLU HA 2.86 
 &rst iat= 807, -1, r1= 2.71, r2= 3.21, r3= 3.21, r4= 3.71,
 igr1= 0,  igr2= 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU HA  52 GLU HG3 3.84 
 &rst iat=  807, 813, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    52 GLU HA 3.37 
 &rst iat= 807, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 861, 860,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU HA  55 ARG HG2 4.82 
 &rst iat=  807, 863, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    45 VAL H 3.36 
 &rst iat= 705, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    51 GLY HA2 5.23 
 &rst iat= -1, 800, r1= 5.78, r2= 6.28, r3= 6.28, r4= 6.78,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG HD3 3.80 
 &rst iat= -1, 867, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    20 TRP HE1 3.87 
 &rst iat= 293, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    44 TYR HA 4.60 
 &rst iat= 686, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    18 PHE HB3 4.43 
 &rst iat= 257, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    54 LEU HB2 5.09 
 &rst iat= -1, 841, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET HA  9 MET HG2 3.73 
 &rst iat=  105, 110, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB3  88 LYS HA 4.76 
 &rst iat=  1346, 1355, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS HA  90 GLY H 4.25 
 &rst iat=  1355, 1390, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HB 2HB    88 LYS HA 2.85 
 &rst iat= 1355, -1, r1= 2.70, r2= 3.20, r3= 3.20, r4= 3.70,
 igr1= 0,  igr2= 1358, 1357,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    88 LYS HA 4.05 
 &rst iat= 1355, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HG 2HG    88 LYS HA 3.68 
 &rst iat= 1355, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 1361, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG HG3 4.32 
 &rst iat= -1, 864, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    63 LYS H 5.28 
 &rst iat= -1, 990, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 963, 964, 965,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    62 TYR HA 5.19 
 &rst iat= -1, 971, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 963, 964, 965,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    58 ILE HA 4.31 
 &rst iat= 904, -1, r1= 4.68, r2= 5.18, r3= 5.18, r4= 5.68,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    61 ALA 1HB 2HB 3HB  4.39  
 &rst iat= -1, -1, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 946, 947,   igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN HA  53 GLN HG2 3.52 
 &rst iat=  822, 827, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN HA 2.80 
 &rst iat= 822, -1, r1= 2.64, r2= 3.14, r3= 3.14, r4= 3.64,
 igr1= 0,  igr2= 825, 824,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HA  60 GLN HA 5.09 
 &rst iat=  923, 944, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN HA  63 LYS HA 5.06 
 &rst iat=  944, 992, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HG 3HG    60 GLN HA 3.50 
 &rst iat= 944, -1, r1= 3.43, r2= 3.93, r3= 3.93, r4= 4.43,
 igr1= 0,  igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    60 GLN HA 2.76 
 &rst iat= 944, -1, r1= 2.60, r2= 3.10, r3= 3.10, r4= 3.60,
 igr1= 0,  igr2= 946, 947,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    36 ARG HA 4.72 
 &rst iat= -1, 548, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 540, 542, 541,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    35 ALA 1HB 3HB 2HB  3.39  
 &rst iat= -1, -1, r1= 3.57, r2= 4.07, r3= 8.47, r4= 8.97,
 igr1= 467, 466,   igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    29 ALA H 3.20 
 &rst iat= 434, -1, r1= 3.34, r2= 3.84, r3= 3.84, r4= 4.34,
 igr1= 0,  igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO HB2 4.99 
 &rst iat= -1, 1081, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    30 GLU HG3 4.91 
 &rst iat= -1, 452, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO 3HG 2HG  3.90  
 &rst iat= -1, -1, r1= 4.18, r2= 4.68, r3= 9.08, r4= 9.58,
 igr1= 438, 440, 439,   igr2= 1079, 1078,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    83 LEU 2HD2 3HD2 1HD2  3.66  
 &rst iat= -1, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 438, 440, 439,   igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    33 LEU HG 3.38 
 &rst iat= -1, 507, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    32 LEU HA 3.63 
 &rst iat= 483, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU HA  33 LEU HA 4.79 
 &rst iat=  483, 502, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  36 ARG H 4.13 
 &rst iat=  502, 546, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    33 LEU HA 4.25 
 &rst iat= -1, 502, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HA  33 LEU CG 3.05 
 &rst iat=  502, 506, r1= 2.55, r2= 3.05,
 r3= 7.45, r4= 7.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  33 LEU HG 4.27 
 &rst iat=  502, 507, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU HA 4.89 
 &rst iat= 502, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    35 ALA 1HB 3HB 2HB  4.23  
 &rst iat= -1, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 523, 524,   igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    35 ALA 1HB 3HB 2HB  5.18  
 &rst iat= -1, -1, r1= 6.97, r2= 7.47, r3= 7.47, r4= 7.97,
 igr1= 491, 492, 490,   igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    57 GLU HB2 4.35 
 &rst iat= -1, 891, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    6 ILE H 3.97 
 &rst iat= 63, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 69, 70, 71,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    54 LEU HA 4.26 
 &rst iat= -1, 839, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    9 MET 1HE 2HE 3HE  4.48  
 &rst iat= -1, -1, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 69, 70, 71,   igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    6 ILE HG12 4.06 
 &rst iat= -1, 73, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    10 ILE 2HD1 1HD1 3HD1  4.58  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 69, 70, 71,   igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ASP HA  96 LEU HG 5.06 
 &rst iat=  1440, 1483, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    11 LYS 2HE 3HE  5.35  
 &rst iat= -1, -1, r1= 6.71, r2= 7.21, r3= 7.21, r4= 7.71,
 igr1= 87, 88, 86,   igr2= 152, 153,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    57 GLU HG3 4.94 
 &rst iat= -1, 895, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 87, 88, 86,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    10 ILE 2HG1 3HG1  5.04  
 &rst iat= -1, -1, r1= 6.29, r2= 6.79, r3= 6.79, r4= 7.29,
 igr1= 87, 88, 86,   igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    7 ALA 2HB 3HB 1HB  5.50  
 &rst iat= -1, -1, r1= 7.43, r2= 7.93, r3= 7.93, r4= 8.43,
 igr1= 69, 70, 71,   igr2= 87, 88, 86,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    10 ILE 1HG2 2HG2 3HG2  5.45  
 &rst iat= -1, -1, r1= 7.36, r2= 7.86, r3= 7.86, r4= 8.36,
 igr1= 87, 88, 86,   igr2= 126, 127, 128,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HA  20 TRP H 3.20 
 &rst iat=  274, 283, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HA  68 PRO HB2 4.23 
 &rst iat=  274, 1081, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    19 SER HA 4.89 
 &rst iat= -1, 274, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ASP HA  95 LEU H 5.03 
 &rst iat=  1440, 1457, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HA  96 LEU H 3.87 
 &rst iat=  1440, 1476, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HA  93 ASP HB3 3.00 
 &rst iat=  1440, 1443, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HA  96 LEU HB2 3.73 
 &rst iat=  1440, 1480, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HG  93 ASP HA 4.66 
 &rst iat=  1426, 1440, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU HA  57 GLU H 4.21 
 &rst iat=  839, 887, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU HA  57 GLU HG2 4.97 
 &rst iat=  839, 894, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    54 LEU HA 4.90 
 &rst iat= -1, 839, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HE2 HE1    76 PHE HA 4.70 
 &rst iat= 1193, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 0,  igr2= 1205, 1201,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HA  77 ILE H 3.00 
 &rst iat=  1193, 1211, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  86 LEU HG 3.60 
 &rst iat=  1324, 1329, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  86 LEU HB3 2.94 
 &rst iat=  1324, 1327, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HA  86 LEU HG 4.50 
 &rst iat=  1280, 1329, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HA  83 LEU HG 3.91 
 &rst iat=  1280, 1285, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    83 LEU HA 4.98 
 &rst iat= 1280, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HA  92 LEU CG 3.56 
 &rst iat=  1280, 1425, r1= 3.06, r2= 3.56,
 r3= 7.96, r4= 8.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  91 LYS HB2 3.45 
 &rst iat=  1324, 1401, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  86 LEU CG 3.00 
 &rst iat=  1324, 1328, r1= 2.50, r2= 3.00,
 r3= 7.40, r4= 7.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  89 GLU H 4.18 
 &rst iat=  1324, 1375, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  92 LEU HG 3.76 
 &rst iat=  1421, 1426, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  92 LEU HA 3.05 
 &rst iat=  1328, 1421, r1= 2.55, r2= 3.05,
 r3= 7.45, r4= 7.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    84 GLU H 4.76 
 &rst iat= 1297, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    86 LEU H 3.55 
 &rst iat= -1, 1322, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    86 LEU HA 5.02 
 &rst iat= -1, 1324, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    89 GLU HG3 4.72 
 &rst iat= -1, 1383, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    86 LEU HG 4.35 
 &rst iat= -1, 1329, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    86 LEU CG 5.09 
 &rst iat= -1, 1328, r1= 5.61, r2= 6.11, r3= 10.51, r4= 11.01,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    72 ILE H 5.28 
 &rst iat= 1137, -1, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 0,  igr2= 1145, 1144, 1143,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER H  44 TYR HA 3.93 
 &rst iat=  272, 686, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HA  45 VAL H 2.92 
 &rst iat=  686, 705, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HE2 HE1    44 TYR HA 4.57 
 &rst iat= 686, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    44 TYR HA 4.76 
 &rst iat= 686, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HD21 4.45 
 &rst iat= -1, 1165, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HD22 4.70 
 &rst iat= -1, 1166, r1= 5.14, r2= 5.64, r3= 5.64, r4= 6.14,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    72 ILE 3HG2 2HG2 1HG2  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 195, 196,   igr2= 1145, 1144, 1143,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HB2 4.09 
 &rst iat= -1, 1160, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    95 LEU HB2 4.30 
 &rst iat= -1, 1461, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    14 LYS HG3 4.66 
 &rst iat= 190, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 1145, 1144, 1143,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    72 ILE 3HG1 2HG1  3.51  
 &rst iat= -1, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 1145, 1144, 1143,   igr2= 1148, 1147,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HA  19 SER H 2.97 
 &rst iat=  254, 272, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    18 PHE HA 5.34 
 &rst iat= 254, -1, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 ASP HA  85 ALA H 4.00 
 &rst iat=  1268, 1312, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    82 ASP HA 3.41 
 &rst iat= 1268, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    18 PHE HA 5.09 
 &rst iat= 254, -1, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HA  43 HID H 3.95 
 &rst iat=  254, 667, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  43 HID HB2 4.46 
 &rst iat=  254, 671, r1= 3.96, r2= 4.46,
 r3= 4.46, r4= 4.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  43 HID HB3 3.78 
 &rst iat=  254, 672, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    18 PHE HA 4.35 
 &rst iat= 254, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE HA  41 THR H 2.88 
 &rst iat=  620, 637, r1= 2.38, r2= 2.88,
 r3= 2.88, r4= 3.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE HA  41 THR HB 4.75 
 &rst iat=  620, 641, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB3  40 ILE HA 4.67 
 &rst iat=  173, 620, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL HB  40 ILE HA 3.12 
 &rst iat=  208, 620, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  40 ILE HA 3.94 
 &rst iat=  207, 620, r1= 3.44, r2= 3.94,
 r3= 8.34, r4= 8.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    40 ILE HA 4.08 
 &rst iat= 620, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    40 ILE HA 4.09 
 &rst iat= 620, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    40 ILE HA 4.57 
 &rst iat= 620, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HE1 HE2    65 GLU HA 5.35 
 &rst iat= -1, 1031, r1= 5.51, r2= 6.01, r3= 6.01, r4= 6.51,
 igr1= 931, 936,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ASP HA  92 LEU H 3.60 
 &rst iat=  1343, 1419, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  92 LEU HB2 3.37 
 &rst iat=  1343, 1423, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  92 LEU CG 3.97 
 &rst iat=  1343, 1425, r1= 3.47, r2= 3.97,
 r3= 8.37, r4= 8.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  92 LEU HB3 3.34 
 &rst iat=  1343, 1424, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    65 GLU HA 4.06 
 &rst iat= -1, 1031, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 GLU 2HG 3HG    65 GLU HA 3.50 
 &rst iat= 1031, -1, r1= 3.43, r2= 3.93, r3= 3.93, r4= 4.43,
 igr1= 0,  igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 MET 3HE 2HE 1HE    54 LEU HG 4.18 
 &rst iat= -1, 844, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 768, 767, 766,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 MET 3HE 2HE 1HE    54 LEU 1HD2 2HD2 3HD2  5.50  
 &rst iat= -1, -1, r1= 7.43, r2= 7.93, r3= 7.93, r4= 8.43,
 igr1= 768, 767, 766,   igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 MET 3HE 2HE 1HE    54 LEU 1HD1 2HD1 3HD1  5.50  
 &rst iat= -1, -1, r1= 7.43, r2= 7.93, r3= 7.93, r4= 8.43,
 igr1= 768, 767, 766,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    6 ILE HA 5.33 
 &rst iat= 65, -1, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 0,  igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    18 PHE HD2 HD1  5.02  
 &rst iat= -1, -1, r1= 5.53, r2= 6.03, r3= 10.43, r4= 10.93,
 igr1= 114, 115, 116,   igr2= 268, 260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    18 PHE HE1 HE2  5.06  
 &rst iat= -1, -1, r1= 6.32, r2= 6.82, r3= 6.82, r4= 7.32,
 igr1= 114, 115, 116,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    9 MET HG3 3.85 
 &rst iat= 111, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    9 MET HG2 4.15 
 &rst iat= 110, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    6 ILE HB 3.98 
 &rst iat= 67, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU HA  52 GLU H 3.73 
 &rst iat=  785, 805, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HA  95 LEU HG 3.71 
 &rst iat=  1459, 1464, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    63 LYS HA 2.93 
 &rst iat= 992, -1, r1= 2.79, r2= 3.29, r3= 3.29, r4= 3.79,
 igr1= 0,  igr2= 994, 995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS HA  63 LYS HG2 3.85 
 &rst iat=  992, 997, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR HE1 HE2    63 LYS HA 4.56 
 &rst iat= -1, 992, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 931, 936,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS 3HD 2HD    63 LYS HA 3.81 
 &rst iat= 992, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1001, 1000,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS HA  63 LYS HG3 4.06 
 &rst iat=  992, 998, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS HA  91 LYS HB3 2.98 
 &rst iat=  1399, 1402, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS 3HG 2HG    91 LYS HA 3.31 
 &rst iat= 1399, -1, r1= 3.22, r2= 3.72, r3= 3.72, r4= 4.22,
 igr1= 0,  igr2= 1405, 1404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE HA  71 PHE HA 5.03 
 &rst iat=  1100, 1119, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU HA  89 GLU HG3 3.81 
 &rst iat=  1377, 1383, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU HA  89 GLU HG2 3.28 
 &rst iat=  1377, 1382, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU HA  89 GLU HB3 2.99 
 &rst iat=  1377, 1380, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HA  72 ILE H 2.93 
 &rst iat=  1119, 1137, r1= 2.43, r2= 2.93,
 r3= 2.93, r4= 3.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HA  76 PHE HA 3.53 
 &rst iat=  1119, 1193, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    71 PHE HA 5.08 
 &rst iat= -1, 1119, r1= 5.60, r2= 6.10, r3= 6.10, r4= 6.60,
 igr1= 1105, 1104, 1106,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    71 PHE HA 4.63 
 &rst iat= -1, 1119, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HD1 HD2    71 PHE HA 4.68 
 &rst iat= 1119, -1, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 0,  igr2= 1125, 1133,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 HID HA  65 GLU HA 4.96 
 &rst iat=  1014, 1031, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HD 2HD    11 LYS HA 3.78 
 &rst iat= 141, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 150, 149,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE HA  11 LYS HA 4.80 
 &rst iat=  122, 141, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS HA  13 ASN H 4.64 
 &rst iat=  141, 168, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HG 2HG    11 LYS HA 3.38 
 &rst iat= 141, -1, r1= 3.29, r2= 3.79, r3= 3.79, r4= 4.29,
 igr1= 0,  igr2= 147, 146,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    70 ILE H 4.68 
 &rst iat= 1098, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS HA  39 ASP H 3.48 
 &rst iat=  586, 606, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HG 3HG    38 LYS HA 3.36 
 &rst iat= 586, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 591, 592,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA HA  88 LYS H 3.65 
 &rst iat=  1314, 1353, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA HA  86 LEU HA 4.87 
 &rst iat=  1314, 1324, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HE 2HE    85 ALA HA 4.92 
 &rst iat= 1314, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 1367, 1366,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HB 2HB    85 ALA HA 3.10 
 &rst iat= 1314, -1, r1= 2.98, r2= 3.48, r3= 3.48, r4= 3.98,
 igr1= 0,  igr2= 1358, 1357,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA HA  10 ILE H 4.52 
 &rst iat=  84, 120, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    7 ALA HA 3.55 
 &rst iat= 84, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    7 ALA HA 4.96 
 &rst iat= 84, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    68 PRO HB2 5.05 
 &rst iat= 1081, -1, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 0,  igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU HB2 3.40 
 &rst iat= -1, 1282, r1= 3.58, r2= 4.08, r3= 4.08, r4= 4.58,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU 2HD2 3HD2 1HD2  3.60  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 1112, 1113, 1111,   igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    70 ILE 2HD1 3HD1 1HD1  3.41  
 &rst iat= -1, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 1105, 1104, 1106,   igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HB3  85 ALA HA 4.97 
 &rst iat=  1302, 1314, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  32 LEU HB2 4.00 
 &rst iat=  436, 485, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    29 ALA HA 3.44 
 &rst iat= 436, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG13  7 ALA HA 4.33 
 &rst iat=  74, 84, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    41 THR H 4.46 
 &rst iat= -1, 637, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 625, 626, 624,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    34 HID HD2 5.34 
 &rst iat= 532, -1, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    41 THR HA 5.02 
 &rst iat= -1, 639, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 625, 626, 624,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    15 VAL HB 4.48 
 &rst iat= 208, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    33 LEU CG 3.93 
 &rst iat= 506, -1, r1= 4.22, r2= 4.72, r3= 9.12, r4= 9.62,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    40 ILE 2HG1 3HG1  3.72  
 &rst iat= -1, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 625, 626, 624,   igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    40 ILE 3HD1 1HD1 2HD1  3.53  
 &rst iat= -1, -1, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 625, 626, 624,   igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS HA 3.40 
 &rst iat= 735, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS HA  47 LYS HG2 3.44 
 &rst iat=  735, 740, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HA  47 LYS HG3 3.98 
 &rst iat=  735, 741, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  32 LEU HB3 3.86 
 &rst iat=  436, 486, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  32 LEU H 3.98 
 &rst iat=  436, 481, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  33 LEU HG 4.37 
 &rst iat=  436, 507, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    40 ILE H 5.30 
 &rst iat= 618, -1, r1= 5.86, r2= 6.36, r3= 6.36, r4= 6.86,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    15 VAL HB 4.48 
 &rst iat= 208, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU HB2 3.97 
 &rst iat= 504, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU HB3 3.17 
 &rst iat= 505, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    15 VAL CB 3.73 
 &rst iat= 207, -1, r1= 3.98, r2= 4.48, r3= 8.88, r4= 9.38,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU CG 3.98 
 &rst iat= 506, -1, r1= 4.28, r2= 4.78, r3= 9.18, r4= 9.68,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    42 VAL 3HG1 1HG1 2HG1  3.60  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 633, 631, 632,   igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG 2HG 3HG    36 ARG HA 4.19 
 &rst iat= 548, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 553, 554,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG HA  92 LEU CG 4.81 
 &rst iat=  548, 1425, r1= 4.31, r2= 4.81,
 r3= 9.21, r4= 9.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    46 ASP HA 5.17 
 &rst iat= -1, 723, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HG3  73 ASN HA 5.00 
 &rst iat=  190, 1158, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS 2HD 3HD    96 LEU HA 3.68 
 &rst iat= -1, 1478, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 192, 193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 LEU HA  96 LEU HG 3.70 
 &rst iat=  1478, 1483, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HA  73 ASN HA 3.98 
 &rst iat=  184, 1158, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HA  74 GLY HA2 5.04 
 &rst iat=  1158, 1172, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HA 4.76 
 &rst iat= -1, 1158, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS HA  39 ASP HA 4.58 
 &rst iat=  586, 608, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  39 ASP HA 5.15 
 &rst iat=  207, 608, r1= 4.65, r2= 5.15,
 r3= 9.55, r4= 10.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    39 ASP HA 4.88 
 &rst iat= 608, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    43 HID HA 4.95 
 &rst iat= 669, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HA  44 TYR HA 4.47 
 &rst iat=  285, 686, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HA  21 VAL H 3.00 
 &rst iat=  285, 307, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HA  45 VAL H 4.53 
 &rst iat=  285, 705, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HA  46 ASP HB2 4.45 
 &rst iat=  285, 725, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    20 TRP HA 4.94 
 &rst iat= 285, -1, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 ASP HA  40 ILE HA 4.59 
 &rst iat=  608, 620, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS HB3  39 ASP HA 4.75 
 &rst iat=  589, 608, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 HID HA  44 TYR HA 4.76 
 &rst iat=  669, 686, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    43 HID HA 5.08 
 &rst iat= -1, 669, r1= 5.60, r2= 6.10, r3= 6.10, r4= 6.60,
 igr1= 645, 644, 643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    43 HID HA 4.79 
 &rst iat= -1, 669, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 663, 661, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS HB2  39 ASP HA 5.48 
 &rst iat=  588, 608, r1= 4.98, r2= 5.48,
 r3= 5.48, r4= 5.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HB 3HB    61 ALA HA 4.42 
 &rst iat= -1, 961, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 946, 947,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    6 ILE H 5.38 
 &rst iat= 63, -1, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 0,  igr2= 78, 76, 77,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    58 ILE H 4.98 
 &rst iat= -1, 902, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    18 PHE HE1 HE2  4.73  
 &rst iat= -1, -1, r1= 5.88, r2= 6.38, r3= 6.38, r4= 6.88,
 igr1= 78, 76, 77,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    18 PHE HZ 4.20 
 &rst iat= -1, 264, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    57 GLU HB3 4.12 
 &rst iat= -1, 892, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    6 ILE HB 3.54 
 &rst iat= 67, -1, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 0,  igr2= 78, 76, 77,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    54 LEU HB2 4.41 
 &rst iat= -1, 841, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    6 ILE 3HD1 1HD1 2HD1  3.66  
 &rst iat= -1, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 69, 70, 71,   igr2= 78, 76, 77,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    54 LEU 1HD1 2HD1 3HD1  4.02  
 &rst iat= -1, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 78, 76, 77,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    10 ILE 2HD1 1HD1 3HD1  4.91  
 &rst iat= -1, -1, r1= 6.58, r2= 7.08, r3= 7.08, r4= 7.58,
 igr1= 78, 76, 77,   igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    57 GLU HB2 4.61 
 &rst iat= -1, 891, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    35 ALA HA 4.41 
 &rst iat= -1, 538, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 523, 524,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    72 ILE H 5.33 
 &rst iat= 1137, -1, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 0,  igr2= 1150, 1152, 1151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    72 ILE HA 4.89 
 &rst iat= 1139, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 1150, 1152, 1151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    95 LEU HB2 4.84 
 &rst iat= -1, 1461, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 1150, 1152, 1151,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    96 LEU HG 5.21 
 &rst iat= -1, 1483, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 1150, 1152, 1151,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    72 ILE HB 3.15 
 &rst iat= 1141, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 1150, 1152, 1151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    72 ILE 1HD1 3HD1 2HD1  3.12  
 &rst iat= -1, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 1145, 1144, 1143,   igr2= 1150, 1152, 1151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    58 ILE H 4.65 
 &rst iat= 902, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HE1 HE2    58 ILE 2HD1 1HD1 3HD1  4.77  
 &rst iat= -1, -1, r1= 5.93, r2= 6.43, r3= 6.43, r4= 6.93,
 igr1= 262, 266,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    58 ILE HA 5.14 
 &rst iat= 904, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    58 ILE HB 3.88 
 &rst iat= 906, -1, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    58 ILE 2HD1 1HD1 3HD1  4.81  
 &rst iat= -1, -1, r1= 6.44, r2= 6.94, r3= 6.94, r4= 7.44,
 igr1= 69, 70, 71,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    58 ILE 2HD1 1HD1 3HD1  3.95  
 &rst iat= -1, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 910, 908, 909,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    58 ILE 2HD1 1HD1 3HD1  4.15  
 &rst iat= -1, -1, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 78, 76, 77,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 ASN HA  76 PHE H 3.16 
 &rst iat=  1179, 1191, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ALA HA  70 ILE H 2.92 
 &rst iat=  1090, 1098, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 PRO 3HD 2HD    25 TYR H 4.66 
 &rst iat= -1, 362, r1= 4.73, r2= 5.23, r3= 5.23, r4= 5.73,
 igr1= 350, 349,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 ASN HA  14 LYS H 2.94 
 &rst iat=  170, 182, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HA  14 LYS HB2 4.42 
 &rst iat=  170, 186, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HA  15 VAL H 4.67 
 &rst iat=  170, 204, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    13 ASN HA 4.81 
 &rst iat= 170, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 GLY H  13 ASN HA 5.37 
 &rst iat=  161, 170, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB3  68 PRO HD3 4.29 
 &rst iat=  367, 1076, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  68 PRO HD3 4.43 
 &rst iat=  366, 1076, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    68 PRO HD3 5.50 
 &rst iat= 1076, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO HD3 5.27 
 &rst iat= -1, 1076, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HB3  68 PRO HD2 4.21 
 &rst iat=  367, 1075, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  68 PRO HD2 4.60 
 &rst iat=  366, 1075, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO HD2 5.38 
 &rst iat= -1, 1075, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 MET H  51 GLY HA3 4.75 
 &rst iat=  755, 801, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HB  51 GLY HA3 3.45 
 &rst iat=  709, 801, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    51 GLY HA3 4.47 
 &rst iat= -1, 801, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 713, 712, 711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    51 GLY HA3 4.66 
 &rst iat= 801, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HA  51 GLY HA2 4.03 
 &rst iat=  707, 800, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HB  51 GLY HA2 3.36 
 &rst iat=  709, 800, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY HA2  54 LEU HG 4.72 
 &rst iat=  800, 844, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    51 GLY HA2 4.03 
 &rst iat= -1, 800, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 713, 712, 711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    51 GLY HA2 3.97 
 &rst iat= 800, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 GLY HA2  54 LEU H 4.45 
 &rst iat=  800, 837, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 GLY 2HA 3HA    56 GLY H 2.90 
 &rst iat= 880, -1, r1= 2.76, r2= 3.26, r3= 3.26, r4= 3.76,
 igr1= 0,  igr2= 882, 883,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY 2HA 3HA    59 TYR 2HB 3HB  3.46  
 &rst iat= -1, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 882, 883,   igr2= 925, 926,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY 2HA 3HA    60 GLN 2HB 3HB  4.74  
 &rst iat= -1, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 882, 883,   igr2= 946, 947,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG 3HB 2HB    56 GLY 2HA 3HA  4.39  
 &rst iat= -1, -1, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 861, 860,   igr2= 882, 883,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY 2HA 3HA    59 TYR HD2 HD1  5.05  
 &rst iat= -1, -1, r1= 5.17, r2= 5.67, r3= 10.07, r4= 10.57,
 igr1= 882, 883,   igr2= 938, 929,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ASP HB2  94 GLY HA2 4.83 
 &rst iat=  1442, 1452, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 GLY HA2  96 LEU H 4.27 
 &rst iat=  1452, 1476, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLY 3HA 2HA    89 GLU HA 4.19 
 &rst iat= 1377, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 1393, 1392,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HB3  74 GLY HA2 4.88 
 &rst iat=  1122, 1172, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HG 2HG    74 GLY HA3 5.02 
 &rst iat= -1, 1173, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 147, 146,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    74 GLY HA3 4.83 
 &rst iat= -1, 1173, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE HB  74 GLY HA3 4.55 
 &rst iat=  124, 1173, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE HB  74 GLY HA2 3.98 
 &rst iat=  124, 1172, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HG 2HG    74 GLY HA2 4.82 
 &rst iat= -1, 1172, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 147, 146,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    74 GLY HA2 4.35 
 &rst iat= -1, 1172, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    74 GLY HA2 4.36 
 &rst iat= -1, 1172, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 130, 131,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HB 2HB    28 ARG 3HD 2HD  3.67  
 &rst iat= -1, -1, r1= 3.62, r2= 4.12, r3= 8.52, r4= 9.02,
 igr1= 415, 414,   igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HD 2HD    25 TYR HA 4.35 
 &rst iat= 364, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 GLY HA2  79 GLY HA3 4.76 
 &rst iat=  1232, 1240, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLY HA3  79 GLY H 3.48 
 &rst iat=  1233, 1237, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE HE2 HE1    78 GLY HA3 4.26 
 &rst iat= -1, 1233, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 1205, 1201,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG HD2 4.19 
 &rst iat= -1, 866, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HE1  55 ARG HD2 5.02 
 &rst iat=  293, 866, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    55 ARG HD2 3.60 
 &rst iat= -1, 866, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 861, 860,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG H  55 ARG HD3 5.09 
 &rst iat=  856, 867, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HE1  55 ARG HD3 4.54 
 &rst iat=  293, 867, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU HA  55 ARG HD3 4.52 
 &rst iat=  807, 867, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    55 ARG HD3 3.72 
 &rst iat= -1, 867, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 861, 860,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    79 GLY HA2 4.39 
 &rst iat= -1, 1239, r1= 4.77, r2= 5.27, r3= 5.27, r4= 5.77,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    79 GLY HA3 4.78 
 &rst iat= -1, 1240, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HB  55 ARG HD3 4.88 
 &rst iat=  709, 867, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HA  86 LEU HB2 3.99 
 &rst iat=  1280, 1326, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB2  92 LEU CG 3.40 
 &rst iat=  1326, 1425, r1= 2.90, r2= 3.40,
 r3= 7.80, r4= 8.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  95 LEU HB2 5.11 
 &rst iat=  1419, 1461, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB3  92 LEU H 3.72 
 &rst iat=  1327, 1419, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB3  87 ASP H 4.22 
 &rst iat=  1327, 1341, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  95 LEU HB2 3.87 
 &rst iat=  1421, 1461, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB2  96 LEU HG 4.77 
 &rst iat=  1461, 1483, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB2  95 LEU CG 3.35 
 &rst iat=  1461, 1463, r1= 2.85, r2= 3.35,
 r3= 7.75, r4= 8.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  95 LEU HB3 4.47 
 &rst iat=  1421, 1462, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB3  95 LEU CG 3.28 
 &rst iat=  1462, 1463, r1= 2.78, r2= 3.28,
 r3= 7.68, r4= 8.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    95 LEU HB3 4.56 
 &rst iat= -1, 1462, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 1150, 1152, 1151,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HB2  33 LEU CG 3.94 
 &rst iat=  504, 506, r1= 3.44, r2= 3.94,
 r3= 8.34, r4= 8.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU H  96 LEU HB3 3.93 
 &rst iat=  1476, 1481, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU HB3  96 LEU CG 3.61 
 &rst iat=  1481, 1482, r1= 3.11, r2= 3.61,
 r3= 8.01, r4= 8.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HG 3HG    38 LYS 2HE 3HE  3.65  
 &rst iat= -1, -1, r1= 3.60, r2= 4.10, r3= 8.50, r4= 9.00,
 igr1= 591, 592,   igr2= 597, 598,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS 2HE 3HE    37 THR HA 4.84 
 &rst iat= 572, -1, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 0,  igr2= 597, 598,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    91 LYS HA 4.67 
 &rst iat= 1399, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    89 GLU HG2 5.44 
 &rst iat= 1382, -1, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    89 GLU HB3 4.06 
 &rst iat= 1380, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 LEU HB2  96 LEU CG 3.50 
 &rst iat=  1480, 1482, r1= 3.00, r2= 3.50,
 r3= 7.90, r4= 8.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HG 2HG    32 LEU HB2 4.96 
 &rst iat= -1, 485, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 467, 466,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL CB  96 LEU HB3 5.10 
 &rst iat=  207, 1481, r1= 4.60, r2= 5.10,
 r3= 9.50, r4= 10.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE HA  71 PHE HB2 4.91 
 &rst iat=  122, 1121, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HB  71 PHE HB2 3.51 
 &rst iat=  224, 1121, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    71 PHE HB2 5.11 
 &rst iat= -1, 1121, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    71 PHE HB2 5.25 
 &rst iat= -1, 1121, r1= 5.80, r2= 6.30, r3= 6.30, r4= 6.80,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    71 PHE HB2 4.70 
 &rst iat= -1, 1121, r1= 5.14, r2= 5.64, r3= 5.64, r4= 6.14,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS 3HE 2HE  2.87  
 &rst iat= -1, -1, r1= 2.72, r2= 3.22, r3= 7.62, r4= 8.12,
 igr1= 470, 469,   igr2= 473, 472,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    31 LYS 3HE 2HE  3.39  
 &rst iat= -1, -1, r1= 3.31, r2= 3.81, r3= 8.21, r4= 8.71,
 igr1= 467, 466,   igr2= 473, 472,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    31 LYS 3HE 2HE  3.70  
 &rst iat= -1, -1, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 406, 405, 404,   igr2= 473, 472,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    86 LEU HB3 4.60 
 &rst iat= 1327, -1, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    87 ASP HB3 4.71 
 &rst iat= -1, 1346, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE H  71 PHE HB3 4.08 
 &rst iat=  1117, 1122, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HB  71 PHE HB3 3.95 
 &rst iat=  224, 1122, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    71 PHE HB3 5.33 
 &rst iat= -1, 1122, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    71 PHE HB3 5.49 
 &rst iat= -1, 1122, r1= 6.09, r2= 6.59, r3= 6.59, r4= 7.09,
 igr1= 228, 227, 226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    71 PHE HB3 4.56 
 &rst iat= -1, 1122, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU HB2  87 ASP HB2 4.85 
 &rst iat=  1326, 1345, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB2  92 LEU HB2 4.38 
 &rst iat=  1345, 1423, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB2  88 LYS H 3.83 
 &rst iat=  1345, 1353, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU HA  87 ASP HB2 3.87 
 &rst iat=  1299, 1345, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB2  92 LEU HB3 4.67 
 &rst iat=  1345, 1424, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    87 ASP HB2 4.52 
 &rst iat= -1, 1345, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ASP HB2  92 LEU CG 3.51 
 &rst iat=  1345, 1425, r1= 3.01, r2= 3.51,
 r3= 7.91, r4= 8.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU 3HG 2HG    83 LEU HB3 5.04 
 &rst iat= 1283, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    83 LEU HB3 5.05 
 &rst iat= -1, 1283, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    83 LEU HB3 3.70 
 &rst iat= 1283, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU HB3 4.29 
 &rst iat= -1, 1283, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU HB3  33 LEU H 4.04 
 &rst iat=  486, 500, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    32 LEU HB3 4.50 
 &rst iat= 486, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HE 2HE    32 LEU HB2 3.79 
 &rst iat= -1, 485, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 473, 472,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HB2  84 GLU H 4.22 
 &rst iat=  1282, 1297, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    83 LEU HB2 3.92 
 &rst iat= 1282, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 2HE 3HE    8 SER HA 4.32 
 &rst iat= 94, -1, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 0,  igr2= 152, 153,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS HB3  47 LYS HE2 5.01 
 &rst iat=  738, 746, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HE 2HE    32 LEU 2HD2 3HD2 1HD2  4.16  
 &rst iat= -1, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 473, 472,   igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS HA  47 LYS HE2 4.92 
 &rst iat=  735, 746, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HB3  47 LYS HE3 4.78 
 &rst iat=  738, 747, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB3  92 LEU CG 3.90 
 &rst iat=  1346, 1425, r1= 3.40, r2= 3.90,
 r3= 8.30, r4= 8.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG 2HD 3HD    36 ARG HB2 3.67 
 &rst iat= 550, -1, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 0,  igr2= 556, 557,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG 2HD 3HD    36 ARG HA 3.01 
 &rst iat= 548, -1, r1= 2.88, r2= 3.38, r3= 3.38, r4= 3.88,
 igr1= 0,  igr2= 556, 557,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG 2HD 3HD    92 LEU CG 3.61 
 &rst iat= -1, 1425, r1= 3.55, r2= 4.05, r3= 8.45, r4= 8.95,
 igr1= 556, 557,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE HB  41 THR H 4.55 
 &rst iat=  622, 637, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  40 ILE HB 3.81 
 &rst iat=  207, 622, r1= 3.31, r2= 3.81,
 r3= 8.21, r4= 8.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    40 ILE HB 3.80 
 &rst iat= 622, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    39 ASP HB2 4.46 
 &rst iat= -1, 610, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS H 4.98 
 &rst iat= 182, -1, r1= 5.09, r2= 5.59, r3= 5.59, r4= 6.09,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    96 LEU HA 4.04 
 &rst iat= -1, 1478, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS HA 4.75 
 &rst iat= 184, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    39 ASP HB3 4.37 
 &rst iat= -1, 611, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS HB3 3.93 
 &rst iat= 187, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    15 VAL CB 4.53 
 &rst iat= -1, 207, r1= 4.58, r2= 5.08, r3= 9.48, r4= 9.98,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 GLY H  82 ASP HB3 3.91 
 &rst iat=  1237, 1271, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    82 ASP HB3 4.95 
 &rst iat= 1271, -1, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    73 ASN HD22 4.95 
 &rst iat= -1, 1166, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS HB2 3.36 
 &rst iat= 186, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS H  92 LEU HB3 4.91 
 &rst iat=  1397, 1424, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HB3  92 LEU CG 3.49 
 &rst iat=  1424, 1425, r1= 2.99, r2= 3.49,
 r3= 7.89, r4= 8.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS H  92 LEU HB2 4.92 
 &rst iat=  1397, 1423, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB2  92 LEU HB2 4.03 
 &rst iat=  1326, 1423, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HG2  39 ASP HB2 5.11 
 &rst iat=  189, 610, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  39 ASP HB2 5.42 
 &rst iat=  207, 610, r1= 4.92, r2= 5.42,
 r3= 9.82, r4= 10.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP H  39 ASP HB3 3.62 
 &rst iat=  606, 611, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HB3  40 ILE HA 5.50 
 &rst iat=  611, 620, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB3  39 ASP HB3 3.63 
 &rst iat=  187, 611, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB2  39 ASP HB3 4.04 
 &rst iat=  186, 611, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE HB  73 ASN HB2 5.01 
 &rst iat=  1141, 1160, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    13 ASN HB3 5.15 
 &rst iat= 173, -1, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 ASN HB3  41 THR HB 4.29 
 &rst iat=  173, 641, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB2  41 THR H 4.73 
 &rst iat=  172, 637, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    13 ASN HB2 5.10 
 &rst iat= 172, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 ASN HB2  41 THR HB 4.18 
 &rst iat=  172, 641, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    13 ASN HB2 3.86 
 &rst iat= 172, -1, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    54 LEU HB3 4.54 
 &rst iat= -1, 842, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 713, 712, 711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU HB3  55 ARG H 3.97 
 &rst iat=  842, 856, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU H  54 LEU HB3 3.63 
 &rst iat=  837, 842, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY HA2  54 LEU HB3 4.31 
 &rst iat=  800, 842, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    54 LEU HB3 3.81 
 &rst iat= -1, 842, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    54 LEU HB2 5.11 
 &rst iat= -1, 841, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 713, 712, 711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 GLY HA2  54 LEU HB2 4.83 
 &rst iat=  800, 841, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    54 LEU HB2 3.76 
 &rst iat= 841, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    54 LEU HB2 4.17 
 &rst iat= 841, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE HB  71 PHE HA 5.23 
 &rst iat=  1102, 1119, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    70 ILE HB 5.37 
 &rst iat= -1, 1102, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 248, 247, 246,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    70 ILE HB 3.26 
 &rst iat= 1102, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 ASN HB2  75 ASN HD22 3.78 
 &rst iat=  1181, 1187, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN HB2  76 PHE H 4.74 
 &rst iat=  1181, 1191, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN HB3  75 ASN HD22 3.91 
 &rst iat=  1182, 1187, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE HB  75 ASN HB3 4.91 
 &rst iat=  1141, 1182, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE HB  77 ILE H 4.97 
 &rst iat=  1102, 1211, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    18 PHE HB2 5.21 
 &rst iat= 256, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    18 PHE HB2 4.49 
 &rst iat= 256, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    18 PHE HB2 4.60 
 &rst iat= 256, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    18 PHE HB3 4.81 
 &rst iat= 257, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE H  18 PHE HB3 4.04 
 &rst iat=  252, 257, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HB2  19 SER H 5.03 
 &rst iat=  256, 272, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL HA  18 PHE HB2 4.98 
 &rst iat=  238, 256, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HE2 HE1    76 PHE HB3 4.99 
 &rst iat= -1, 1196, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 984, 979,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 HID 2HB 3HB    62 TYR HB2 4.42 
 &rst iat= 973, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1016, 1017,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HA  62 TYR HB2 5.50 
 &rst iat=  923, 973, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HG3  33 LEU CG 5.45 
 &rst iat=  452, 506, r1= 4.95, r2= 5.45,
 r3= 9.85, r4= 10.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HA  30 GLU HG3 4.82 
 &rst iat=  385, 452, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    30 GLU HG3 4.52 
 &rst iat= 452, -1, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    30 GLU HG3 5.14 
 &rst iat= 452, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    30 GLU HG2 4.74 
 &rst iat= -1, 451, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU HG2  33 LEU CG 5.40 
 &rst iat=  451, 506, r1= 4.90, r2= 5.40,
 r3= 9.80, r4= 10.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    30 GLU HG2 4.78 
 &rst iat= 451, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG HA  58 ILE HB 3.74 
 &rst iat=  858, 906, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    60 GLN HA 4.81 
 &rst iat= -1, 944, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU 3HG 2HG    83 LEU H 5.06 
 &rst iat= 1278, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA HA  10 ILE HB 4.81 
 &rst iat=  84, 124, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE HB  11 LYS H 4.71 
 &rst iat=  124, 139, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    10 ILE HB 3.54 
 &rst iat= 124, -1, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU 3HG 2HG    83 LEU HG 5.03 
 &rst iat= 1285, -1, r1= 5.15, r2= 5.65, r3= 5.65, r4= 6.15,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU 3HG 2HG    84 GLU HB3 2.51 
 &rst iat= 1302, -1, r1= 2.32, r2= 2.82, r3= 2.82, r4= 3.32,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    84 GLU 3HG 2HG  5.28  
 &rst iat= -1, -1, r1= 5.84, r2= 6.34, r3= 10.74, r4= 11.24,
 igr1= 1292, 1293, 1291,   igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU 3HG 2HG    83 LEU HB2 5.17 
 &rst iat= 1282, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ASN HB3  73 ASN HD21 4.03 
 &rst iat=  1161, 1165, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HB3 4.74 
 &rst iat= -1, 1161, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ASN HB2  75 ASN H 4.79 
 &rst iat=  1160, 1177, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HB2  75 ASN HD22 4.75 
 &rst iat=  1160, 1187, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HB2  73 ASN HD21 3.38 
 &rst iat=  1160, 1165, r1= 2.88, r2= 3.38,
 r3= 3.38, r4= 3.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HB  18 PHE HZ 4.95 
 &rst iat=  67, 264, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE H  6 ILE HB 3.96 
 &rst iat=  63, 67, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    6 ILE HB 4.49 
 &rst iat= 67, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 GLU 2HG 3HG    64 HID HA 4.89 
 &rst iat= 1014, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HB  54 LEU HB3 4.27 
 &rst iat=  67, 842, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    57 GLU HG2 5.50 
 &rst iat= -1, 894, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    57 GLU HG2 5.50 
 &rst iat= -1, 894, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 846, 847, 848,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU HA  52 GLU HG2 4.05 
 &rst iat=  807, 812, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU H  52 GLU HG2 4.15 
 &rst iat=  805, 812, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU 2HB 3HB    52 GLU HG2 2.96 
 &rst iat= -1, 812, r1= 2.82, r2= 3.32, r3= 3.32, r4= 3.82,
 igr1= 809, 810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 GLU H  89 GLU HG2 4.02 
 &rst iat=  1375, 1382, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU H  52 GLU HG3 3.98 
 &rst iat=  805, 813, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU HA  57 GLU HG3 3.60 
 &rst iat=  889, 895, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA HA  89 GLU HG3 5.05 
 &rst iat=  1314, 1383, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  89 GLU HG3 4.97 
 &rst iat=  1324, 1383, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  89 GLU HG2 5.12 
 &rst iat=  1324, 1382, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU 2HG 3HG    50 GLU HA 3.97 
 &rst iat= 785, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU 2HG 3HG    50 GLU HB3 2.42 
 &rst iat= 788, -1, r1= 2.22, r2= 2.72, r3= 2.72, r4= 3.22,
 igr1= 0,  igr2= 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU 2HG 3HG    54 LEU 1HD2 2HD2 3HD2  4.72  
 &rst iat= -1, -1, r1= 5.17, r2= 5.67, r3= 10.07, r4= 10.57,
 igr1= 790, 791,   igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU 2HG 3HG    54 LEU 1HD1 2HD1 3HD1  5.11  
 &rst iat= -1, -1, r1= 5.64, r2= 6.14, r3= 10.54, r4= 11.04,
 igr1= 790, 791,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 SER 2HB 3HB    50 GLU 2HG 3HG  5.01  
 &rst iat= -1, -1, r1= 5.12, r2= 5.62, r3= 10.02, r4= 10.52,
 igr1= 776, 777,   igr2= 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HB3  45 VAL H 4.75 
 &rst iat=  689, 705, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB3  47 LYS HB2 4.31 
 &rst iat=  689, 737, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB3  47 LYS HG3 4.38 
 &rst iat=  689, 741, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB2  47 LYS HB3 4.73 
 &rst iat=  688, 738, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB2  47 LYS HG3 4.72 
 &rst iat=  688, 741, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB2  47 LYS HB2 4.10 
 &rst iat=  688, 737, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS 2HD 3HD    44 TYR HB2 4.93 
 &rst iat= 688, -1, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HB2  47 LYS HG2 4.81 
 &rst iat=  688, 740, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL HB  18 PHE H 5.14 
 &rst iat=  240, 252, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    16 VAL HB 4.81 
 &rst iat= -1, 224, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 2HB 3HB    10 ILE 2HD1 1HD1 3HD1  5.46  
 &rst iat= -1, -1, r1= 6.86, r2= 7.36, r3= 7.36, r4= 7.86,
 igr1= 107, 108,   igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 2HB 3HB    6 ILE HA 4.00 
 &rst iat= 65, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 107, 108,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU HB3  91 LYS HB2 4.27 
 &rst iat=  1327, 1401, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HA  68 PRO HB3 4.54 
 &rst iat=  385, 1082, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 PRO HB3  69 ALA H 3.95 
 &rst iat=  1082, 1088, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO HB3 5.40 
 &rst iat= -1, 1082, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HG 3HG    57 GLU HA 4.30 
 &rst iat= 889, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HG 3HG    59 TYR H 4.89 
 &rst iat= 921, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN HG2 2.68 
 &rst iat= -1, 827, r1= 2.51, r2= 3.01, r3= 3.01, r4= 3.51,
 igr1= 825, 824,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN HG3  54 LEU H 5.05 
 &rst iat=  828, 837, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN H  53 GLN HG3 4.61 
 &rst iat=  820, 828, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN HG3 2.81 
 &rst iat= -1, 828, r1= 2.65, r2= 3.15, r3= 3.15, r4= 3.65,
 igr1= 825, 824,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN HA  53 GLN HG3 4.02 
 &rst iat=  822, 828, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HE 3HE    38 LYS HB2 5.18 
 &rst iat= 588, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 0,  igr2= 597, 598,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HE2 HE1    42 VAL HB 4.99 
 &rst iat= 655, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET H  9 MET HG3 4.19 
 &rst iat=  103, 111, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HA  9 MET HG3 4.68 
 &rst iat=  65, 111, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL HB  40 ILE HB 4.09 
 &rst iat=  208, 622, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS HB2 4.00 
 &rst iat= 463, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS HB2  32 LEU H 3.91 
 &rst iat=  463, 481, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HE 2HE    31 LYS HB3 4.90 
 &rst iat= 464, -1, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 0,  igr2= 473, 472,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS HB3  32 LEU H 3.58 
 &rst iat=  464, 481, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG 2HD 3HD    36 ARG HB3 3.87 
 &rst iat= 551, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 556, 557,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HA  36 ARG HB2 4.38 
 &rst iat=  502, 550, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    36 ARG HB2 4.77 
 &rst iat= -1, 550, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG HB2  92 LEU CG 3.91 
 &rst iat=  550, 1425, r1= 3.41, r2= 3.91,
 r3= 8.31, r4= 8.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 GLU 2HG 3HG    65 GLU HB3 2.73 
 &rst iat= 1034, -1, r1= 2.56, r2= 3.06, r3= 3.06, r4= 3.56,
 igr1= 0,  igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG HB3  92 LEU CG 3.25 
 &rst iat=  551, 1425, r1= 2.75, r2= 3.25,
 r3= 7.65, r4= 8.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 PRO HB3  25 TYR H 4.57 
 &rst iat=  356, 362, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HB 2HB    89 GLU H 3.86 
 &rst iat= -1, 1375, r1= 3.83, r2= 4.33, r3= 4.33, r4= 4.83,
 igr1= 1358, 1357,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HB 2HB    88 LYS 3HE 2HE  4.52  
 &rst iat= -1, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1358, 1357,   igr2= 1367, 1366,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HD 2HD    11 LYS HB2 3.37 
 &rst iat= 143, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 150, 149,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 HID HB2  44 TYR H 4.70 
 &rst iat=  671, 684, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    43 HID HB2 4.59 
 &rst iat= 671, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    43 HID HB3 4.97 
 &rst iat= 672, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    43 HID HB3 5.37 
 &rst iat= -1, 672, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 645, 644, 643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HB3  15 VAL CB 4.35 
 &rst iat=  187, 207, r1= 3.85, r2= 4.35,
 r3= 8.75, r4= 9.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB2  15 VAL CB 5.15 
 &rst iat=  186, 207, r1= 4.65, r2= 5.15,
 r3= 9.55, r4= 10.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    45 VAL HB 5.39 
 &rst iat= 709, -1, r1= 5.97, r2= 6.47, r3= 6.47, r4= 6.97,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    28 ARG 3HB 2HB  5.35  
 &rst iat= -1, -1, r1= 6.71, r2= 7.21, r3= 7.21, r4= 7.71,
 igr1= 406, 405, 404,   igr2= 415, 414,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HB 2HB    29 ALA H 3.83 
 &rst iat= -1, 434, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 415, 414,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HB 2HB    28 ARG H 3.25 
 &rst iat= 410, -1, r1= 3.15, r2= 3.65, r3= 3.65, r4= 4.15,
 igr1= 0,  igr2= 415, 414,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 GLU HB3  90 GLY H 4.84 
 &rst iat=  1380, 1390, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  89 GLU HB3 4.50 
 &rst iat=  1324, 1380, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS 3HD 2HD    89 GLU HB3 4.57 
 &rst iat= 1380, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 1408, 1407,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    89 GLU HB2 4.71 
 &rst iat= 1379, -1, r1= 4.79, r2= 5.29, r3= 5.29, r4= 5.79,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 GLU HB2  91 LYS H 4.81 
 &rst iat=  1379, 1397, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG 3HB 2HB    29 ALA 1HB 3HB 2HB  4.78  
 &rst iat= -1, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 415, 414,   igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    40 ILE 2HG2 3HG2 1HG2  5.15  
 &rst iat= -1, -1, r1= 6.44, r2= 6.94, r3= 6.94, r4= 7.44,
 igr1= 523, 524,   igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    40 ILE 3HD1 1HD1 2HD1  5.31  
 &rst iat= -1, -1, r1= 6.66, r2= 7.16, r3= 7.16, r4= 7.66,
 igr1= 523, 524,   igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    34 HID HD2 3.87 
 &rst iat= -1, 532, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 523, 524,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG12  57 GLU HB2 4.55 
 &rst iat=  73, 891, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    57 GLU HB3 5.43 
 &rst iat= -1, 892, r1= 6.02, r2= 6.52, r3= 6.52, r4= 7.02,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    84 GLU HB2 5.50 
 &rst iat= -1, 1301, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 495, 496, 494,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    19 SER HB3 5.16 
 &rst iat= -1, 277, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HB3  26 CYS HA 4.98 
 &rst iat=  277, 385, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HB3  26 CYS HB3 4.00 
 &rst iat=  277, 388, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    19 SER HB3 4.17 
 &rst iat= 277, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HB2  20 TRP H 4.18 
 &rst iat=  276, 283, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  19 SER HB2 5.50 
 &rst iat=  254, 276, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    42 VAL 3HG1 1HG1 2HG1  5.01  
 &rst iat= -1, -1, r1= 6.25, r2= 6.75, r3= 6.75, r4= 7.25,
 igr1= 448, 449,   igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU 2HB 3HB    34 HID HD2 4.48 
 &rst iat= -1, 532, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 448, 449,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU H  84 GLU HB3 3.65 
 &rst iat=  1297, 1302, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU HB3  85 ALA H 4.05 
 &rst iat=  1302, 1312, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU H  84 GLU HB2 3.78 
 &rst iat=  1297, 1301, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG 3HB 2HB  5.06  
 &rst iat= -1, -1, r1= 6.32, r2= 6.82, r3= 6.82, r4= 7.32,
 igr1= 717, 716, 715,   igr2= 861, 860,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HB2  26 CYS HB3 5.19 
 &rst iat=  276, 388, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS 2HD 3HD    14 LYS HB3 3.47 
 &rst iat= 187, -1, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 0,  igr2= 192, 193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HD 3HD    14 LYS H 4.98 
 &rst iat= 182, -1, r1= 5.09, r2= 5.59, r3= 5.59, r4= 6.09,
 igr1= 0,  igr2= 192, 193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS H 4.54 
 &rst iat= 459, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HD 3HD    14 LYS HA 5.19 
 &rst iat= 184, -1, r1= 5.33, r2= 5.83, r3= 5.83, r4= 6.33,
 igr1= 0,  igr2= 192, 193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HD 3HD    39 ASP HB3 5.13 
 &rst iat= -1, 611, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 192, 193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HD 3HD    15 VAL CB 4.80 
 &rst iat= -1, 207, r1= 4.89, r2= 5.39, r3= 9.79, r4= 10.29,
 igr1= 192, 193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS HA 4.24 
 &rst iat= 461, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HD 2HD    91 LYS HB3 3.20 
 &rst iat= 1402, -1, r1= 3.09, r2= 3.59, r3= 3.59, r4= 4.09,
 igr1= 0,  igr2= 1408, 1407,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS HB3 3.28 
 &rst iat= 464, -1, r1= 3.18, r2= 3.68, r3= 3.68, r4= 4.18,
 igr1= 0,  igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    88 LYS H 4.69 
 &rst iat= 1353, -1, r1= 4.76, r2= 5.26, r3= 5.26, r4= 5.76,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    85 ALA HA 4.19 
 &rst iat= 1314, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    84 GLU HB3 4.47 
 &rst iat= 1302, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HB 2HB    88 LYS 3HD 2HD  3.06  
 &rst iat= -1, -1, r1= 2.93, r2= 3.43, r3= 7.83, r4= 8.33,
 igr1= 1358, 1357,   igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HG 2HG    88 LYS 3HD 2HD  2.52  
 &rst iat= -1, -1, r1= 2.33, r2= 2.83, r3= 7.23, r4= 7.73,
 igr1= 1361, 1360,   igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    87 ASP HA 4.74 
 &rst iat= 1343, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HD 2HD    91 LYS HA 4.33 
 &rst iat= 1399, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 1408, 1407,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HD 2HD    86 LEU CG 3.90 
 &rst iat= 1328, -1, r1= 3.88, r2= 4.38, r3= 8.78, r4= 9.28,
 igr1= 0,  igr2= 1408, 1407,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HB  96 LEU CG 4.09 
 &rst iat=  574, 1482, r1= 3.59, r2= 4.09,
 r3= 8.49, r4= 8.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU 2HB 3HB    50 GLU HA 4.87 
 &rst iat= 785, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU 2HB 3HB    52 GLU HG3 2.98 
 &rst iat= -1, 813, r1= 2.84, r2= 3.34, r3= 3.34, r4= 3.84,
 igr1= 809, 810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HB  96 LEU HB3 4.63 
 &rst iat=  574, 1481, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    63 LYS 3HE 2HE  5.05  
 &rst iat= -1, -1, r1= 5.86, r2= 6.36, r3= 6.36, r4= 6.86,
 igr1= 994, 995,   igr2= 1004, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS 2HD 3HD    38 LYS HA 4.53 
 &rst iat= 586, -1, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 0,  igr2= 594, 595,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    70 ILE 2HG1 3HG1  3.11  
 &rst iat= -1, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 1105, 1104, 1106,   igr2= 1108, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 SER 2HB 3HB    50 GLU HB2 4.44 
 &rst iat= -1, 787, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 776, 777,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    61 ALA H 3.40 
 &rst iat= -1, 959, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 946, 947,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    57 GLU HA 3.39 
 &rst iat= 889, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 946, 947,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS HB3 3.73 
 &rst iat= 738, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS HB2 3.77 
 &rst iat= 737, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS H 4.81 
 &rst iat= 733, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    44 TYR HB3 4.56 
 &rst iat= 689, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS HG3 2.73 
 &rst iat= 741, -1, r1= 2.56, r2= 3.06, r3= 3.06, r4= 3.56,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP H  26 CYS HB2 4.44 
 &rst iat=  283, 387, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HB2  27 VAL H 4.01 
 &rst iat=  387, 394, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HB3  26 CYS HB2 3.67 
 &rst iat=  277, 387, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  26 CYS HB2 4.30 
 &rst iat=  366, 387, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HB2  30 GLU HG3 5.16 
 &rst iat=  387, 452, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    26 CYS HB2 5.30 
 &rst iat= 387, -1, r1= 5.86, r2= 6.36, r3= 6.36, r4= 6.86,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HA  26 CYS HB2 4.91 
 &rst iat=  274, 387, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU HB3  54 LEU HG 5.02 
 &rst iat=  788, 844, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    50 GLU HB3 5.07 
 &rst iat= 788, -1, r1= 5.59, r2= 6.09, r3= 6.09, r4= 6.59,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    50 GLU HB2 4.96 
 &rst iat= 787, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU HB2  51 GLY H 5.12 
 &rst iat=  787, 798, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    63 LYS 3HD 2HD  3.66  
 &rst iat= -1, -1, r1= 3.61, r2= 4.11, r3= 8.51, r4= 9.01,
 igr1= 994, 995,   igr2= 1001, 1000,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    41 THR HA 5.02 
 &rst iat= -1, 639, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 628, 629,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    15 VAL HB 4.52 
 &rst iat= 208, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    15 VAL CB 4.46 
 &rst iat= 207, -1, r1= 4.51, r2= 5.01, r3= 9.41, r4= 9.91,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    33 LEU CG 5.50 
 &rst iat= 506, -1, r1= 5.67, r2= 6.17, r3= 10.57, r4= 11.07,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    50 GLU HA 4.42 
 &rst iat= 785, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 825, 824,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    54 LEU 1HD1 2HD1 3HD1  5.38  
 &rst iat= -1, -1, r1= 6.75, r2= 7.25, r3= 7.25, r4= 7.75,
 igr1= 825, 824,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG H  55 ARG HG3 4.98 
 &rst iat=  856, 864, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  32 LEU HG 4.76 
 &rst iat=  481, 488, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU HA  32 LEU HG 3.75 
 &rst iat=  483, 488, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    32 LEU HG 5.19 
 &rst iat= 488, -1, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG HA  55 ARG HG2 3.91 
 &rst iat=  858, 863, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  92 LEU HG 5.31 
 &rst iat=  1343, 1426, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL HA  30 GLU H 4.38 
 &rst iat=  396, 444, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    27 VAL HA 3.65 
 &rst iat= 396, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 448, 449,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG 2HG 3HG    36 ARG H 4.39 
 &rst iat= 546, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 0,  igr2= 553, 554,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG12  7 ALA H 5.08 
 &rst iat=  73, 82, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HG12  57 GLU HB3 5.14 
 &rst iat=  73, 892, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE H  6 ILE HG12 4.08 
 &rst iat=  63, 73, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HG13  57 GLU HB2 4.89 
 &rst iat=  74, 891, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HG13  57 GLU HB3 4.42 
 &rst iat=  74, 892, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HG  96 LEU HG 5.32 
 &rst iat=  1426, 1483, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HG  34 HID H 5.08 
 &rst iat=  507, 519, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    33 LEU HG 3.49 
 &rst iat= 507, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    33 LEU HG 4.55 
 &rst iat= 507, -1, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU HG 3.91 
 &rst iat= 507, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE HA  61 ALA H 4.41 
 &rst iat=  904, 959, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HE2 HE1    58 ILE HA 4.76 
 &rst iat= 904, -1, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 0,  igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    58 ILE HA 3.53 
 &rst iat= 904, -1, r1= 3.46, r2= 3.96, r3= 3.96, r4= 4.46,
 igr1= 0,  igr2= 913, 912,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    58 ILE HA 3.85 
 &rst iat= 904, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 910, 908, 909,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    58 ILE HA 4.26 
 &rst iat= -1, 904, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HG 2HG    91 LYS 3HE 2HE  4.14  
 &rst iat= -1, -1, r1= 4.15, r2= 4.65, r3= 9.05, r4= 9.55,
 igr1= 1405, 1404,   igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HG 2HG    89 GLU HB3 4.73 
 &rst iat= 1380, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1405, 1404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HG 2HG    86 LEU CG 5.17 
 &rst iat= 1328, -1, r1= 5.30, r2= 5.80, r3= 10.20, r4= 10.70,
 igr1= 0,  igr2= 1405, 1404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    31 LYS 3HD 2HD  2.74  
 &rst iat= -1, -1, r1= 2.58, r2= 3.08, r3= 7.48, r4= 7.98,
 igr1= 467, 466,   igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    92 LEU CG 4.05 
 &rst iat= -1, 1425, r1= 4.36, r2= 4.86, r3= 9.26, r4= 9.76,
 igr1= 1292, 1293, 1291,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE HA  16 VAL HB 3.64 
 &rst iat=  122, 224, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    10 ILE HA 3.96 
 &rst iat= 122, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    10 ILE HA 3.73 
 &rst iat= 122, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 228, 227, 226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    10 ILE HA 3.52 
 &rst iat= 122, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 LEU HA  92 LEU CG 4.35 
 &rst iat=  1421, 1425, r1= 3.85, r2= 4.35,
 r3= 8.75, r4= 9.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HB2  92 LEU CG 3.45 
 &rst iat=  1423, 1425, r1= 2.95, r2= 3.45,
 r3= 7.85, r4= 8.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HG 2HG    88 LYS H 4.39 
 &rst iat= 1353, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 0,  igr2= 1361, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HG 2HG    85 ALA HA 4.73 
 &rst iat= 1314, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1361, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    32 LEU 2HD2 3HD2 1HD2  4.76  
 &rst iat= -1, -1, r1= 5.22, r2= 5.72, r3= 10.12, r4= 10.62,
 igr1= 467, 466,   igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HG 2HG    11 LYS HB2 2.97 
 &rst iat= 143, -1, r1= 2.83, r2= 3.33, r3= 3.33, r4= 3.83,
 igr1= 0,  igr2= 147, 146,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    32 LEU HA 3.68 
 &rst iat= 483, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 491, 492, 490,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    84 GLU 3HG 2HG  4.27  
 &rst iat= -1, -1, r1= 4.63, r2= 5.13, r3= 9.53, r4= 10.03,
 igr1= 491, 492, 490,   igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    83 LEU HB3 3.83 
 &rst iat= 1283, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    32 LEU HB3 3.57 
 &rst iat= 486, -1, r1= 3.79, r2= 4.29, r3= 4.29, r4= 4.79,
 igr1= 0,  igr2= 491, 492, 490,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    32 LEU HB2 4.05 
 &rst iat= 485, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 491, 492, 490,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    32 LEU H 4.81 
 &rst iat= 481, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 491, 492, 490,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HG 2HG    8 SER HA 4.86 
 &rst iat= 94, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 147, 146,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HG 2HG    11 LYS 3HD 2HD  2.60  
 &rst iat= -1, -1, r1= 2.42, r2= 2.92, r3= 7.32, r4= 7.82,
 igr1= 147, 146,   igr2= 150, 149,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    83 LEU HA 3.17 
 &rst iat= 1280, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    83 LEU HB2 3.73 
 &rst iat= 1282, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU 2HD1 1HD1 3HD1  3.45  
 &rst iat= -1, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 1112, 1113, 1111,   igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 PRO HA  27 VAL H 4.28 
 &rst iat=  358, 394, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HA  68 PRO HD2 4.14 
 &rst iat=  385, 1075, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    26 CYS HA 3.85 
 &rst iat= 385, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    68 PRO 3HG 2HG  5.50  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 11.01, r4= 11.51,
 igr1= 244, 243, 242,   igr2= 1079, 1078,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 PRO 3HG 2HG    70 ILE 2HD1 3HD1 1HD1  4.55  
 &rst iat= -1, -1, r1= 4.96, r2= 5.46, r3= 9.86, r4= 10.36,
 igr1= 1079, 1078,   igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    45 VAL H 3.64 
 &rst iat= 705, -1, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    18 PHE HB3 3.82 
 &rst iat= 257, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HG2  15 VAL CB 3.52 
 &rst iat=  189, 207, r1= 3.02, r2= 3.52,
 r3= 7.92, r4= 8.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HB2  6 ILE H 4.06 
 &rst iat=  56, 63, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    5 SER HB2 5.21 
 &rst iat= 56, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 0,  igr2= 69, 70, 71,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    5 SER HB2 4.05 
 &rst iat= 56, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    6 ILE HA 4.02 
 &rst iat= 65, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS HG3 4.23 
 &rst iat= 190, -1, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HG3  15 VAL CB 4.71 
 &rst iat=  190, 207, r1= 4.21, r2= 4.71,
 r3= 9.11, r4= 9.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HG2  96 LEU CG 4.09 
 &rst iat=  189, 1482, r1= 3.59, r2= 4.09,
 r3= 8.49, r4= 8.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    87 ASP HB3 4.53 
 &rst iat= -1, 1346, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 495, 496, 494,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    84 GLU 3HG 2HG  3.97  
 &rst iat= -1, -1, r1= 4.27, r2= 4.77, r3= 9.17, r4= 9.67,
 igr1= 495, 496, 494,   igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    32 LEU HB3 3.78 
 &rst iat= 486, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    32 LEU HB2 3.68 
 &rst iat= 485, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    35 ALA 1HB 3HB 2HB  5.16  
 &rst iat= -1, -1, r1= 6.94, r2= 7.44, r3= 7.44, r4= 7.94,
 igr1= 495, 496, 494,   igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    32 LEU H 4.87 
 &rst iat= 481, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    32 LEU HA 3.99 
 &rst iat= 483, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    84 GLU HA 4.03 
 &rst iat= -1, 1299, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 495, 496, 494,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    84 GLU HB3 4.08 
 &rst iat= -1, 1302, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 495, 496, 494,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HA  47 LYS H 4.49 
 &rst iat=  707, 733, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HA  45 VAL HA 4.86 
 &rst iat=  686, 707, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HA  51 GLY HA3 3.96 
 &rst iat=  707, 801, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    45 VAL HA 3.35 
 &rst iat= 707, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    45 VAL HA 4.18 
 &rst iat= 707, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  5 SER HB3  6 ILE H 3.79 
 &rst iat=  57, 63, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HA  9 MET HG2 4.39 
 &rst iat=  65, 110, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HA  9 MET H 3.79 
 &rst iat=  65, 103, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HA  18 PHE HZ 4.61 
 &rst iat=  65, 264, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    6 ILE HA 3.44 
 &rst iat= 65, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 69, 70, 71,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    6 ILE HA 4.32 
 &rst iat= 65, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 78, 76, 77,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    6 ILE HA 4.85 
 &rst iat= 65, -1, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HA  6 ILE HG13 4.09 
 &rst iat=  65, 74, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB3  47 LYS HG2 4.47 
 &rst iat=  689, 740, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HB3  57 GLU HG2 3.52 
 &rst iat=  57, 894, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS 3HE 2HE    86 LEU CG 4.90 
 &rst iat= 1328, -1, r1= 5.00, r2= 5.50, r3= 9.90, r4= 10.40,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU HB2  86 LEU CG 3.88 
 &rst iat=  1326, 1328, r1= 3.38, r2= 3.88,
 r3= 8.28, r4= 8.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  91 LYS HB3 3.65 
 &rst iat=  1328, 1402, r1= 3.15, r2= 3.65,
 r3= 8.05, r4= 8.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  91 LYS HB2 3.23 
 &rst iat=  1328, 1401, r1= 2.73, r2= 3.23,
 r3= 7.63, r4= 8.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB3  86 LEU CG 3.24 
 &rst iat=  1327, 1328, r1= 2.74, r2= 3.24,
 r3= 7.64, r4= 8.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HA  86 LEU CG 4.71 
 &rst iat=  1280, 1328, r1= 4.21, r2= 4.71,
 r3= 9.11, r4= 9.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  91 LYS H 4.71 
 &rst iat=  1328, 1397, r1= 4.21, r2= 4.71,
 r3= 9.11, r4= 9.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  89 GLU H 5.32 
 &rst iat=  1328, 1375, r1= 4.82, r2= 5.32,
 r3= 9.72, r4= 10.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  91 LYS HA 5.07 
 &rst iat=  1328, 1399, r1= 4.57, r2= 5.07,
 r3= 9.47, r4= 9.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  89 GLU HG2 5.50 
 &rst iat=  1328, 1382, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    8 SER 3HB 2HB  5.21  
 &rst iat= -1, -1, r1= 6.52, r2= 7.02, r3= 7.02, r4= 7.52,
 igr1= 87, 88, 86,   igr2= 97, 96,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER 3HB 2HB    7 ALA H 4.94 
 &rst iat= 82, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 97, 96,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL CB  39 ASP HB3 4.97 
 &rst iat=  207, 611, r1= 4.47, r2= 4.97,
 r3= 9.37, r4= 9.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    26 CYS HB3 4.55 
 &rst iat= 388, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    27 VAL H 3.22 
 &rst iat= 394, -1, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    23 CYS H 4.87 
 &rst iat= 337, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    24 PRO HA 3.66 
 &rst iat= 358, -1, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    26 CYS HA 5.27 
 &rst iat= 385, -1, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    27 VAL HA 3.12 
 &rst iat= 396, -1, r1= 3.25, r2= 3.75, r3= 3.75, r4= 4.25,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    54 LEU 1HD2 2HD2 3HD2  4.81  
 &rst iat= -1, -1, r1= 6.44, r2= 6.94, r3= 6.94, r4= 7.44,
 igr1= 78, 76, 77,   igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  95 LEU HA  95 LEU CG 2.97 
 &rst iat=  1459, 1463, r1= 2.47, r2= 2.97,
 r3= 7.37, r4= 7.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  16 VAL H 3.69 
 &rst iat=  207, 220, r1= 3.19, r2= 3.69,
 r3= 8.09, r4= 8.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  33 LEU HA 4.99 
 &rst iat=  207, 502, r1= 4.49, r2= 4.99,
 r3= 9.39, r4= 9.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HB3  33 LEU CG 3.25 
 &rst iat=  505, 506, r1= 2.75, r2= 3.25,
 r3= 7.65, r4= 8.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    70 ILE HA 4.21 
 &rst iat= -1, 1100, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 248, 247, 246,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    18 PHE H 4.99 
 &rst iat= -1, 252, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 248, 247, 246,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    17 VAL H 3.81 
 &rst iat= 236, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 248, 247, 246,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    6 ILE H 5.05 
 &rst iat= 63, -1, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    54 LEU H 4.26 
 &rst iat= 837, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU CG  34 HID HD2 5.01 
 &rst iat=  506, 532, r1= 4.51, r2= 5.01,
 r3= 9.41, r4= 9.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    54 LEU HA 3.14 
 &rst iat= 839, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    54 LEU HB3 4.05 
 &rst iat= 842, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    70 ILE HA 5.05 
 &rst iat= -1, 1100, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 1092, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE HA  71 PHE HB2 4.48 
 &rst iat=  1100, 1121, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    53 GLN H 5.50 
 &rst iat= 820, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE HA  71 PHE H 2.97 
 &rst iat=  1100, 1117, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG1 3HG1    70 ILE HA 3.81 
 &rst iat= 1100, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1108, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    70 ILE HA 3.81 
 &rst iat= 1100, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 1105, 1104, 1106,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 SER 2HB 3HB    49 SER HA 2.77 
 &rst iat= 774, -1, r1= 2.61, r2= 3.11, r3= 3.11, r4= 3.61,
 igr1= 0,  igr2= 776, 777,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HA  62 TYR H 4.51 
 &rst iat=  923, 969, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 HID 2HB 3HB    59 TYR HA 4.73 
 &rst iat= 923, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1016, 1017,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE HB  59 TYR HA 4.67 
 &rst iat=  906, 923, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 THR 1HG2 2HG2 3HG2    22 THR HA 3.01 
 &rst iat= 325, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 329, 330, 331,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    17 VAL H 4.74 
 &rst iat= 236, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 0,  igr2= 244, 243, 242,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    30 GLU HG3 4.65 
 &rst iat= -1, 452, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    42 VAL 3HG1 1HG1 2HG1  3.75  
 &rst iat= -1, -1, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 244, 243, 242,   igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    18 PHE H 3.69 
 &rst iat= -1, 252, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    18 PHE HA 4.47 
 &rst iat= -1, 254, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    70 ILE HA 4.49 
 &rst iat= -1, 1100, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    42 VAL HA 4.70 
 &rst iat= -1, 653, r1= 5.14, r2= 5.64, r3= 5.64, r4= 6.14,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    19 SER HB2 4.16 
 &rst iat= -1, 276, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    68 PRO HB2 4.10 
 &rst iat= -1, 1081, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    29 ALA 1HB 3HB 2HB  5.12  
 &rst iat= -1, -1, r1= 6.88, r2= 7.38, r3= 7.38, r4= 7.88,
 igr1= 244, 243, 242,   igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    42 VAL 3HG2 1HG2 2HG2  4.14  
 &rst iat= -1, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 244, 243, 242,   igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    54 LEU 1HD1 2HD1 3HD1  4.56  
 &rst iat= -1, -1, r1= 6.08, r2= 6.58, r3= 6.58, r4= 7.08,
 igr1= 713, 712, 711,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    54 LEU 1HD1 2HD1 3HD1  3.39  
 &rst iat= -1, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 69, 70, 71,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 PRO HA  69 ALA H 3.08 
 &rst iat=  1084, 1088, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 THR HA  68 PRO HA 3.12 
 &rst iat=  1046, 1084, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    68 PRO HA 4.87 
 &rst iat= -1, 1084, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 SER HA  50 GLU HA 4.83 
 &rst iat=  774, 785, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    41 THR HA 3.23 
 &rst iat= 639, -1, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    43 HID H 5.20 
 &rst iat= -1, 667, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 645, 644, 643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    16 VAL HA 3.60 
 &rst iat= 222, -1, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    71 PHE HB2 4.89 
 &rst iat= -1, 1121, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 228, 227, 226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    41 THR 3HG2 2HG2 1HG2  5.32  
 &rst iat= -1, -1, r1= 6.67, r2= 7.17, r3= 7.17, r4= 7.67,
 igr1= 628, 629,   igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    16 VAL 3HG1 2HG1 1HG1  4.55  
 &rst iat= -1, -1, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 134, 133, 135,   igr2= 228, 227, 226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HA  28 ARG HG3 4.87 
 &rst iat=  364, 418, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE HA  41 THR HA 4.92 
 &rst iat=  620, 639, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    68 PRO HA 4.84 
 &rst iat= 1084, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    69 ALA H 3.62 
 &rst iat= 1088, -1, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    70 ILE H 4.19 
 &rst iat= -1, 1098, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 1092, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HD1 HD2    69 ALA 1HB 2HB 3HB  3.53  
 &rst iat= -1, -1, r1= 3.74, r2= 4.24, r3= 8.64, r4= 9.14,
 igr1= 977, 986,   igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    71 PHE HZ 3.82 
 &rst iat= -1, 1129, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 1092, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    66 THR HA 4.69 
 &rst iat= 1046, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    18 PHE HB2 3.47 
 &rst iat= 256, -1, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    69 ALA 1HB 2HB 3HB  3.53  
 &rst iat= -1, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 913, 912,   igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    69 ALA 1HB 2HB 3HB  3.72  
 &rst iat= -1, -1, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 916, 915, 917,   igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    42 VAL H 3.68 
 &rst iat= -1, 651, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 645, 644, 643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 SER HA  84 GLU H 4.63 
 &rst iat=  1257, 1297, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 SER 2HB 3HB    81 SER HA 2.44 
 &rst iat= 1257, -1, r1= 2.24, r2= 2.74, r3= 2.74, r4= 3.24,
 igr1= 0,  igr2= 1259, 1260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    41 THR H 4.61 
 &rst iat= -1, 637, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    12 GLY HA3 5.18 
 &rst iat= 164, -1, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL HA  40 ILE HA 4.92 
 &rst iat=  222, 620, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HA  41 THR H 3.61 
 &rst iat=  222, 637, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HA  17 VAL H 2.84 
 &rst iat=  222, 236, r1= 2.34, r2= 2.84,
 r3= 2.84, r4= 3.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HA  41 THR HB 3.93 
 &rst iat=  222, 641, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    16 VAL HA 3.37 
 &rst iat= 222, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    16 VAL HA 4.61 
 &rst iat= 222, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 248, 247, 246,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL HA  17 VAL HA 4.60 
 &rst iat=  222, 238, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    15 VAL H 4.98 
 &rst iat= 204, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    12 GLY H 4.24 
 &rst iat= 161, -1, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    10 ILE HA 3.47 
 &rst iat= 122, -1, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    41 THR HB 3.67 
 &rst iat= -1, 641, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    13 ASN HB3 3.83 
 &rst iat= 173, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    10 ILE HB 5.16 
 &rst iat= 124, -1, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    16 VAL 1HG2 3HG2 2HG2  5.12  
 &rst iat= -1, -1, r1= 6.88, r2= 7.38, r3= 7.38, r4= 7.88,
 igr1= 134, 133, 135,   igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    28 ARG H 3.85 
 &rst iat= -1, 410, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    31 LYS HB3 4.14 
 &rst iat= -1, 464, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    31 LYS 3HG 2HG  4.70  
 &rst iat= -1, -1, r1= 5.14, r2= 5.64, r3= 10.04, r4= 10.54,
 igr1= 406, 405, 404,   igr2= 467, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    27 VAL H 4.41 
 &rst iat= 394, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 406, 405, 404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    27 VAL HA 3.33 
 &rst iat= 396, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 0,  igr2= 406, 405, 404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL H  71 PHE H 4.08 
 &rst iat=  220, 1117, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL HA  16 VAL H 2.90 
 &rst iat=  206, 220, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL H  71 PHE HB2 4.05 
 &rst iat=  220, 1121, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL H  71 PHE HB3 4.73 
 &rst iat=  220, 1122, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL HB  16 VAL H 4.83 
 &rst iat=  208, 220, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL H  16 VAL HB 3.48 
 &rst iat=  220, 224, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    16 VAL H 3.54 
 &rst iat= 220, -1, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    16 VAL H 5.26 
 &rst iat= 220, -1, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 0,  igr2= 248, 247, 246,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    16 VAL H 4.66 
 &rst iat= 220, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 228, 227, 226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HB  39 ASP H 4.88 
 &rst iat=  574, 606, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP H  39 ASP HB2 3.84 
 &rst iat=  606, 610, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS HB2  39 ASP H 4.95 
 &rst iat=  588, 606, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS HB3  39 ASP H 4.40 
 &rst iat=  589, 606, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HG 3HG    39 ASP H 5.11 
 &rst iat= -1, 606, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 591, 592,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    39 ASP H 5.50 
 &rst iat= 606, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 CYS H  26 CYS HB3 3.74 
 &rst iat=  383, 388, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS H  27 VAL HB 5.40 
 &rst iat=  383, 398, r1= 4.90, r2= 5.40,
 r3= 5.40, r4= 5.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    26 CYS H 5.50 
 &rst iat= 383, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 CYS H  28 ARG HG3 5.50 
 &rst iat=  383, 418, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR H  26 CYS H 3.30 
 &rst iat=  362, 383, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HD1 HD2    26 CYS H 5.50 
 &rst iat= -1, 383, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 370, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HB3  26 CYS H 3.69 
 &rst iat=  367, 383, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  26 CYS H 3.91 
 &rst iat=  366, 383, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP H  26 CYS H 5.50 
 &rst iat=  283, 383, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 THR HB  23 CYS H 4.03 
 &rst iat=  327, 337, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 PRO 3HD 2HD    23 CYS H 5.50 
 &rst iat= 337, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 350, 349,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 CYS H  24 PRO HA 5.39 
 &rst iat=  337, 358, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE H  72 ILE H 4.74 
 &rst iat=  1117, 1137, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    71 PHE H 4.48 
 &rst iat= 1117, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 0,  igr2= 1125, 1133,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL HA  71 PHE H 4.27 
 &rst iat=  238, 1117, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE H  71 PHE HB2 3.67 
 &rst iat=  1117, 1121, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HB  71 PHE H 4.66 
 &rst iat=  224, 1117, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    71 PHE H 4.76 
 &rst iat= -1, 1117, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 1105, 1104, 1106,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL H  43 HID H 5.15 
 &rst iat=  651, 667, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HB  43 HID H 5.26 
 &rst iat=  655, 667, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER H  43 HID H 4.94 
 &rst iat=  272, 667, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL H  43 HID H 4.51 
 &rst iat=  236, 667, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 HID H  43 HID HB2 4.02 
 &rst iat=  667, 671, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 HID H  43 HID HB3 3.54 
 &rst iat=  667, 672, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    43 HID H 4.44 
 &rst iat= -1, 667, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 659, 657, 658,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    43 HID H 3.75 
 &rst iat= -1, 667, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 663, 661, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL H  18 PHE H 5.50 
 &rst iat=  236, 252, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR H  42 VAL H 5.21 
 &rst iat=  637, 651, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR HA  42 VAL H 2.70 
 &rst iat=  639, 651, r1= 2.20, r2= 2.70,
 r3= 2.70, r4= 3.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR HB  42 VAL H 4.81 
 &rst iat=  641, 651, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL H  42 VAL HB 3.31 
 &rst iat=  651, 655, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    42 VAL H 3.34 
 &rst iat= 651, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    42 VAL H 4.64 
 &rst iat= 651, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR H  25 TYR HB2 4.11 
 &rst iat=  362, 366, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR H  25 TYR HB3 3.63 
 &rst iat=  362, 367, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 PRO 3HG 2HG    25 TYR H 4.96 
 &rst iat= -1, 362, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 353, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL H  41 THR HB 5.08 
 &rst iat=  236, 641, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL H  17 VAL HB 3.46 
 &rst iat=  236, 240, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    17 VAL H 3.71 
 &rst iat= -1, 236, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 228, 227, 226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL H  17 VAL H 4.92 
 &rst iat=  220, 236, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL H  41 THR H 4.90 
 &rst iat=  236, 637, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    17 VAL H 4.37 
 &rst iat= -1, 236, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HB3  77 ILE H 4.88 
 &rst iat=  1196, 1211, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    77 ILE H 4.46 
 &rst iat= -1, 1211, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 1105, 1104, 1106,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HB2  77 ILE H 4.92 
 &rst iat=  1195, 1211, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HE2 HE1    44 TYR H 5.35 
 &rst iat= 684, -1, r1= 5.51, r2= 6.01, r3= 6.01, r4= 6.51,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    44 TYR H 3.97 
 &rst iat= 684, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 HID HA  44 TYR H 2.94 
 &rst iat=  669, 684, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR H  44 TYR HB3 3.97 
 &rst iat=  684, 689, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR H  44 TYR HB2 3.33 
 &rst iat=  684, 688, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 HID HB3  44 TYR H 5.46 
 &rst iat=  672, 684, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    44 TYR H 5.50 
 &rst iat= 684, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    44 TYR H 5.17 
 &rst iat= -1, 684, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 663, 661, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HE1  46 ASP HA 5.26 
 &rst iat=  293, 723, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HE1  46 ASP HB3 5.50 
 &rst iat=  293, 726, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HE1  46 ASP HB2 5.06 
 &rst iat=  293, 725, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    20 TRP HE1 5.50 
 &rst iat= 293, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL HA  18 PHE H 3.08 
 &rst iat=  238, 252, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE H  70 ILE HA 4.63 
 &rst iat=  252, 1100, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE H  18 PHE HB2 3.74 
 &rst iat=  252, 256, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    18 PHE H 4.56 
 &rst iat= 252, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR H  41 THR HB 3.40 
 &rst iat=  637, 641, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB3  41 THR H 4.44 
 &rst iat=  173, 637, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    41 THR H 4.07 
 &rst iat= 637, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    41 THR H 5.17 
 &rst iat= -1, 637, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 633, 631, 632,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL HB  41 THR H 4.30 
 &rst iat=  208, 637, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  41 THR H 4.41 
 &rst iat=  207, 637, r1= 3.91, r2= 4.41,
 r3= 8.81, r4= 9.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    41 THR H 4.28 
 &rst iat= -1, 637, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 628, 629,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    21 VAL H 4.57 
 &rst iat= 307, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 VAL H  44 TYR HB3 5.22 
 &rst iat=  307, 689, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP 2HB 3HB    21 VAL H 4.05 
 &rst iat= -1, 307, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 287, 288,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 ASN HB3  76 PHE H 4.39 
 &rst iat=  1182, 1191, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE H  76 PHE HB2 3.80 
 &rst iat=  1191, 1195, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE H  76 PHE HB3 3.89 
 &rst iat=  1191, 1196, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE HD1 HD2    76 PHE H 5.48 
 &rst iat= 1191, -1, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 0,  igr2= 1199, 1207,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HE2 HE1    70 ILE H 4.25 
 &rst iat= 1098, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 1205, 1201,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HD1 HD2    70 ILE H 5.33 
 &rst iat= 1098, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 1199, 1207,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE H  71 PHE HA 5.44 
 &rst iat=  1098, 1119, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG1 3HG1    70 ILE H 3.65 
 &rst iat= 1098, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 1108, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE H  70 ILE HB 3.22 
 &rst iat=  1098, 1102, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    70 ILE H 4.49 
 &rst iat= 1098, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 1105, 1104, 1106,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY 2HA 3HA    57 GLU H 3.26 
 &rst iat= -1, 887, r1= 3.16, r2= 3.66, r3= 3.66, r4= 4.16,
 igr1= 882, 883,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG HA  57 GLU H 5.35 
 &rst iat=  858, 887, r1= 4.85, r2= 5.35,
 r3= 5.35, r4= 5.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU H  57 GLU HG2 3.60 
 &rst iat=  887, 894, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU H  57 GLU HB2 3.39 
 &rst iat=  887, 891, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU H  57 GLU HG3 3.98 
 &rst iat=  887, 895, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU H  57 GLU HB3 3.85 
 &rst iat=  887, 892, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    57 GLU H 5.50 
 &rst iat= -1, 887, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    57 GLU H 5.50 
 &rst iat= -1, 887, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 846, 847, 848,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 THR HA  69 ALA H 4.05 
 &rst iat=  1046, 1088, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HB2  69 ALA H 4.17 
 &rst iat=  256, 1088, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 PRO HB2  69 ALA H 3.98 
 &rst iat=  1081, 1088, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    69 ALA H 4.61 
 &rst iat= -1, 1088, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN H  54 LEU H 3.31 
 &rst iat=  820, 837, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU HA  53 GLN H 4.18 
 &rst iat=  785, 820, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY HA2  53 GLN H 5.50 
 &rst iat=  800, 820, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN H 2.94 
 &rst iat= 820, -1, r1= 2.80, r2= 3.30, r3= 3.30, r4= 3.80,
 igr1= 0,  igr2= 825, 824,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU 2HB 3HB    53 GLN H 3.45 
 &rst iat= -1, 820, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 809, 810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    53 GLN H 5.50 
 &rst iat= 820, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN H  53 GLN HG2 5.50 
 &rst iat=  820, 827, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    85 ALA H 3.06 
 &rst iat= 1312, -1, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU H  85 ALA H 3.36 
 &rst iat=  1297, 1312, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  85 ALA H 4.00 
 &rst iat=  1278, 1312, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU 3HG 2HG    85 ALA H 4.79 
 &rst iat= -1, 1312, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 1305, 1304,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HB2  85 ALA H 3.81 
 &rst iat=  1301, 1312, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA H  86 LEU HG 5.49 
 &rst iat=  1312, 1329, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  85 ALA H 5.27 
 &rst iat=  1266, 1312, r1= 4.77, r2= 5.27,
 r3= 5.27, r4= 5.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP H  21 VAL H 5.31 
 &rst iat=  283, 307, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP H  20 TRP HD1 5.34 
 &rst iat=  283, 291, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HE2 HE1    20 TRP H 5.05 
 &rst iat= 283, -1, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    20 TRP H 5.11 
 &rst iat= 283, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HB3  20 TRP H 3.40 
 &rst iat=  277, 283, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP H  26 CYS HB3 4.38 
 &rst iat=  283, 388, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP 2HB 3HB    20 TRP H 3.40 
 &rst iat= 283, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 287, 288,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    20 TRP H 5.50 
 &rst iat= 283, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL HA  29 ALA H 5.24 
 &rst iat=  396, 434, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HA  29 ALA H 4.84 
 &rst iat=  364, 434, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA H  30 GLU HG3 5.50 
 &rst iat=  434, 452, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HG3  29 ALA H 5.39 
 &rst iat=  418, 434, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HG2  29 ALA H 4.74 
 &rst iat=  417, 434, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    29 ALA H 5.38 
 &rst iat= -1, 434, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE H  7 ALA H 3.97 
 &rst iat=  63, 82, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HA  7 ALA H 4.67 
 &rst iat=  54, 82, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HB2  7 ALA H 4.59 
 &rst iat=  56, 82, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA H  57 GLU HB3 5.05 
 &rst iat=  82, 892, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HB  7 ALA H 4.06 
 &rst iat=  67, 82, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    7 ALA H 3.24 
 &rst iat= 82, -1, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 0,  igr2= 87, 88, 86,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG13  7 ALA H 4.23 
 &rst iat=  74, 82, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    7 ALA H 4.52 
 &rst iat= -1, 82, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    9 MET H 5.50 
 &rst iat= -1, 103, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 87, 88, 86,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    9 MET H 5.50 
 &rst iat= 103, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 2HB 3HB    9 MET H 3.63 
 &rst iat= 103, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 107, 108,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 ASP H  84 GLU H 4.93 
 &rst iat=  1266, 1297, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  83 LEU HA 5.50 
 &rst iat=  1266, 1280, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  82 ASP HB3 3.93 
 &rst iat=  1266, 1271, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  82 ASP HB2 3.57 
 &rst iat=  1266, 1270, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  83 LEU HB3 5.08 
 &rst iat=  1266, 1283, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    82 ASP H 5.50 
 &rst iat= 1266, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER 3HB 2HB    9 MET H 3.94 
 &rst iat= -1, 103, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 97, 96,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET H  9 MET HG2 3.67 
 &rst iat=  103, 110, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET H  11 LYS H 5.50 
 &rst iat=  103, 139, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB3  14 LYS H 3.94 
 &rst iat=  173, 182, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB2  14 LYS H 3.86 
 &rst iat=  172, 182, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  14 LYS HB3 3.32 
 &rst iat=  182, 187, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  14 LYS HB2 3.23 
 &rst iat=  182, 186, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  14 LYS HG3 5.00 
 &rst iat=  182, 190, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  14 LYS HG2 4.97 
 &rst iat=  182, 189, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  15 VAL CB 4.94 
 &rst iat=  182, 207, r1= 4.44, r2= 4.94,
 r3= 9.34, r4= 9.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR H  60 GLN H 3.41 
 &rst iat=  921, 942, r1= 2.91, r2= 3.41,
 r3= 3.41, r4= 3.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG HA  59 TYR H 5.29 
 &rst iat=  858, 921, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    59 TYR H 2.97 
 &rst iat= 921, -1, r1= 2.83, r2= 3.33, r3= 3.33, r4= 3.83,
 igr1= 0,  igr2= 925, 926,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE HB  59 TYR H 3.47 
 &rst iat=  906, 921, r1= 2.97, r2= 3.47,
 r3= 3.47, r4= 3.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    59 TYR H 4.10 
 &rst iat= -1, 921, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HA  88 LYS H 5.04 
 &rst iat=  1299, 1353, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB3  88 LYS H 3.34 
 &rst iat=  1346, 1353, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HB 2HB    88 LYS H 2.85 
 &rst iat= 1353, -1, r1= 2.70, r2= 3.20, r3= 3.20, r4= 3.70,
 igr1= 0,  igr2= 1358, 1357,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HB  38 LYS H 4.82 
 &rst iat=  574, 584, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS H  38 LYS HB3 3.69 
 &rst iat=  584, 589, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HG 3HG    38 LYS H 4.00 
 &rst iat= 584, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 591, 592,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU H  88 LYS H 4.98 
 &rst iat=  1322, 1353, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS H  92 LEU CG 5.50 
 &rst iat=  1353, 1425, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  93 ASP H 3.31 
 &rst iat=  1419, 1438, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  92 LEU HG 4.64 
 &rst iat=  1419, 1426, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS H  92 LEU H 3.02 
 &rst iat=  1397, 1419, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  93 ASP HB2 5.50 
 &rst iat=  1419, 1442, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  92 LEU HB3 3.18 
 &rst iat=  1419, 1424, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS HB2  92 LEU H 4.14 
 &rst iat=  1401, 1419, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  92 LEU HB2 3.14 
 &rst iat=  1419, 1423, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  92 LEU CG 4.28 
 &rst iat=  1419, 1425, r1= 3.78, r2= 4.28,
 r3= 8.68, r4= 9.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 GLY H  83 LEU H 4.84 
 &rst iat=  1237, 1278, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  84 GLU H 3.31 
 &rst iat=  1278, 1297, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  83 LEU H 3.35 
 &rst iat=  1266, 1278, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 SER HA  83 LEU H 5.13 
 &rst iat=  1257, 1278, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP HB3  83 LEU H 3.79 
 &rst iat=  1271, 1278, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP HB2  83 LEU H 3.44 
 &rst iat=  1270, 1278, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HB3 3.06 
 &rst iat=  1278, 1283, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HG 4.34 
 &rst iat=  1278, 1285, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HB2 3.13 
 &rst iat=  1278, 1282, r1= 2.63, r2= 3.13,
 r3= 3.13, r4= 3.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    83 LEU H 4.71 
 &rst iat= 1278, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    83 LEU H 4.65 
 &rst iat= 1278, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU H 4.57 
 &rst iat= -1, 1278, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU H  86 LEU H 5.29 
 &rst iat=  1278, 1322, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 SER 2HB 3HB    50 GLU H 5.14 
 &rst iat= -1, 783, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 776, 777,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU 2HG 3HG    50 GLU H 5.50 
 &rst iat= 783, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE H  60 GLN H 5.39 
 &rst iat=  902, 942, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU HB2  58 ILE H 4.03 
 &rst iat=  891, 902, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE H  58 ILE HB 3.14 
 &rst iat=  902, 906, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    58 ILE H 4.41 
 &rst iat= 902, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 0,  igr2= 913, 912,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    58 ILE H 4.43 
 &rst iat= 902, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 910, 908, 909,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY H  58 ILE H 4.61 
 &rst iat=  880, 902, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    58 ILE H 5.24 
 &rst iat= 902, -1, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 0,  igr2= 925, 926,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    97 SER H 5.48 
 &rst iat= -1, 1495, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 LEU HB2  97 SER H 3.99 
 &rst iat=  1480, 1495, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU HG  97 SER H 5.01 
 &rst iat=  1483, 1495, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU HB3  97 SER H 4.48 
 &rst iat=  1481, 1495, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU CG  97 SER H 5.39 
 &rst iat=  1463, 1495, r1= 4.89, r2= 5.39,
 r3= 9.79, r4= 10.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU CG  97 SER H 4.98 
 &rst iat=  1482, 1495, r1= 4.48, r2= 4.98,
 r3= 9.38, r4= 9.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS H  27 VAL H 3.79 
 &rst iat=  383, 394, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 CYS H  27 VAL H 5.44 
 &rst iat=  337, 394, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR H  27 VAL H 5.06 
 &rst iat=  362, 394, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  27 VAL H 5.50 
 &rst iat=  366, 394, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL H  27 VAL HB 3.25 
 &rst iat=  394, 398, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL H  29 ALA H 5.50 
 &rst iat=  394, 434, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS H  32 LEU H 3.28 
 &rst iat=  459, 481, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  33 LEU H 3.31 
 &rst iat=  481, 500, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  32 LEU HB3 2.94 
 &rst iat=  481, 486, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  32 LEU HB2 3.05 
 &rst iat=  481, 485, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HG 2HG    32 LEU H 4.68 
 &rst iat= -1, 481, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 467, 466,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU H  33 LEU HG 5.32 
 &rst iat=  481, 507, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU H  32 LEU H 4.83 
 &rst iat=  444, 481, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  32 LEU H 5.36 
 &rst iat=  446, 481, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    32 LEU H 5.18 
 &rst iat= 481, -1, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU H  55 ARG H 3.58 
 &rst iat=  837, 856, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY HA3  54 LEU H 5.50 
 &rst iat=  801, 837, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN HG2  54 LEU H 5.06 
 &rst iat=  827, 837, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    54 LEU H 3.44 
 &rst iat= -1, 837, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 825, 824,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU H  54 LEU HB2 3.90 
 &rst iat=  837, 841, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    54 LEU H 4.55 
 &rst iat= 837, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU H  54 LEU H 5.02 
 &rst iat=  805, 837, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HD1 HD2    19 SER H 5.50 
 &rst iat= 272, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER H  19 SER HB3 4.20 
 &rst iat=  272, 277, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER H  19 SER HB2 3.57 
 &rst iat=  272, 276, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER H  43 HID HB3 5.11 
 &rst iat=  272, 672, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE H  6 ILE HG13 4.71 
 &rst iat=  63, 74, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    19 SER H 4.83 
 &rst iat= 272, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU H  53 GLN H 3.46 
 &rst iat=  805, 820, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU 2HB 3HB    52 GLU H 3.17 
 &rst iat= 805, -1, r1= 3.06, r2= 3.56, r3= 3.56, r4= 4.06,
 igr1= 0,  igr2= 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    19 SER H 4.77 
 &rst iat= 272, -1, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    19 SER H 5.28 
 &rst iat= -1, 272, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    19 SER H 5.31 
 &rst iat= -1, 272, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HB3  19 SER H 4.61 
 &rst iat=  257, 272, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 GLY H  95 LEU H 3.44 
 &rst iat=  1450, 1457, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  95 LEU H 3.78 
 &rst iat=  1421, 1457, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HB3  95 LEU H 5.50 
 &rst iat=  1443, 1457, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HB2  95 LEU H 5.28 
 &rst iat=  1442, 1457, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  95 LEU HB2 3.00 
 &rst iat=  1457, 1461, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  95 LEU HG 3.15 
 &rst iat=  1457, 1464, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  96 LEU HG 4.79 
 &rst iat=  1457, 1483, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  95 LEU HB3 3.52 
 &rst iat=  1457, 1462, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  95 LEU CG 3.82 
 &rst iat=  1457, 1463, r1= 3.32, r2= 3.82,
 r3= 8.22, r4= 8.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HD1 HD2    45 VAL H 4.65 
 &rst iat= -1, 705, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 692, 701,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HB2  45 VAL H 5.05 
 &rst iat=  688, 705, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  45 VAL H 5.50 
 &rst iat=  254, 705, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR HD2 HD1    60 GLN H 4.70 
 &rst iat= -1, 942, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 GLU HA  60 GLN H 3.91 
 &rst iat=  889, 942, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    60 GLN H 3.45 
 &rst iat= -1, 942, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HG 3HG    60 GLN H 3.73 
 &rst iat= 942, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    60 GLN H 2.91 
 &rst iat= 942, -1, r1= 2.77, r2= 3.27, r3= 3.27, r4= 3.77,
 igr1= 0,  igr2= 946, 947,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    60 GLN H 5.22 
 &rst iat= 942, -1, r1= 5.77, r2= 6.27, r3= 6.27, r4= 6.77,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS H  31 LYS HB3 3.31 
 &rst iat=  459, 464, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS H  33 LEU CG 5.50 
 &rst iat=  459, 506, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS H  33 LEU HG 5.50 
 &rst iat=  459, 507, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS H  28 ARG H 4.90 
 &rst iat=  383, 410, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG H  30 GLU H 5.28 
 &rst iat=  410, 444, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL H  28 ARG H 3.43 
 &rst iat=  394, 410, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG H  29 ALA H 3.36 
 &rst iat=  410, 434, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HA  28 ARG H 3.67 
 &rst iat=  364, 410, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG 3HD 2HD    28 ARG H 4.77 
 &rst iat= 410, -1, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 0,  igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL HB  28 ARG H 2.73 
 &rst iat=  398, 410, r1= 2.23, r2= 2.73,
 r3= 2.73, r4= 3.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG H  28 ARG HG3 4.18 
 &rst iat=  410, 418, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG H  28 ARG HG2 4.69 
 &rst iat=  410, 417, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    28 ARG H 5.17 
 &rst iat= 410, -1, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 0,  igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    28 ARG H 4.51 
 &rst iat= -1, 410, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 402, 401, 400,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA H  31 LYS H 4.78 
 &rst iat=  434, 459, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HG3  31 LYS H 5.50 
 &rst iat=  452, 459, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    31 LYS H 3.49 
 &rst iat= -1, 459, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 448, 449,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS H  31 LYS HB2 3.03 
 &rst iat=  459, 463, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HG 2HG    31 LYS H 4.31 
 &rst iat= 459, -1, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 0,  igr2= 467, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    31 LYS H 5.09 
 &rst iat= -1, 459, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS H  47 LYS HB3 4.02 
 &rst iat=  733, 738, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR H  47 LYS H 5.50 
 &rst iat=  684, 733, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL H  47 LYS H 4.96 
 &rst iat=  705, 733, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB3  47 LYS H 4.31 
 &rst iat=  689, 733, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB2  47 LYS H 4.56 
 &rst iat=  688, 733, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS H  47 LYS HB2 3.50 
 &rst iat=  733, 737, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS H  47 LYS HG3 4.14 
 &rst iat=  733, 741, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS H  47 LYS HG2 4.06 
 &rst iat=  733, 740, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP H  88 LYS H 3.25 
 &rst iat=  1341, 1353, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA H  87 ASP H 4.08 
 &rst iat=  1312, 1341, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  87 ASP H 3.20 
 &rst iat=  1322, 1341, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP H  87 ASP HB3 3.14 
 &rst iat=  1341, 1346, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP H  87 ASP HB2 3.06 
 &rst iat=  1341, 1345, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB2  87 ASP H 3.37 
 &rst iat=  1326, 1341, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    87 ASP H 4.79 
 &rst iat= -1, 1341, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ASP H  92 LEU HB2 3.68 
 &rst iat=  1341, 1423, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP H  92 LEU CG 4.15 
 &rst iat=  1341, 1425, r1= 3.65, r2= 4.15,
 r3= 8.55, r4= 9.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  76 PHE H 5.17 
 &rst iat=  1177, 1191, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  75 ASN HB3 3.93 
 &rst iat=  1177, 1182, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HA  75 ASN H 5.28 
 &rst iat=  1158, 1177, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB3  75 ASN H 4.65 
 &rst iat=  1122, 1177, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLY H  75 ASN H 3.44 
 &rst iat=  1170, 1177, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE H  75 ASN H 3.61 
 &rst iat=  1137, 1177, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  75 ASN HD22 4.79 
 &rst iat=  1177, 1187, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  75 ASN HD21 4.95 
 &rst iat=  1177, 1186, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HA  75 ASN H 4.63 
 &rst iat=  1119, 1177, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  75 ASN HB2 3.10 
 &rst iat=  1177, 1181, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE HB  75 ASN H 5.15 
 &rst iat=  1141, 1177, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HB3  75 ASN H 4.97 
 &rst iat=  1161, 1177, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 MET H  51 GLY H 4.85 
 &rst iat=  755, 798, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS H  48 MET H 3.11 
 &rst iat=  733, 755, r1= 2.61, r2= 3.11,
 r3= 3.11, r4= 3.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HA  48 MET H 4.01 
 &rst iat=  707, 755, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HB3  48 MET H 4.69 
 &rst iat=  738, 755, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HB2  48 MET H 4.27 
 &rst iat=  737, 755, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HG3  48 MET H 5.01 
 &rst iat=  741, 755, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HG2  48 MET H 5.50 
 &rst iat=  740, 755, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 3HG1 2HG1    72 ILE H 4.89 
 &rst iat= 1137, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 1148, 1147,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS 3HD 2HD    64 HID H 5.50 
 &rst iat= -1, 1012, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1001, 1000,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR H  64 HID H 5.18 
 &rst iat=  921, 1012, r1= 4.68, r2= 5.18,
 r3= 5.18, r4= 5.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS H  64 HID H 3.55 
 &rst iat=  990, 1012, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HD1 HD2    64 HID H 5.43 
 &rst iat= -1, 1012, r1= 5.59, r2= 6.09, r3= 6.09, r4= 6.59,
 igr1= 977, 986,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HA  64 HID H 3.18 
 &rst iat=  923, 1012, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    64 HID H 4.99 
 &rst iat= -1, 1012, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 HID 2HB 3HB    64 HID H 3.40 
 &rst iat= 1012, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 1016, 1017,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HB3  64 HID H 4.85 
 &rst iat=  974, 1012, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HB2  64 HID H 4.19 
 &rst iat=  973, 1012, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    64 HID H 4.43 
 &rst iat= -1, 1012, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 994, 995,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE H  74 GLY H 4.71 
 &rst iat=  1137, 1170, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB2  72 ILE H 4.52 
 &rst iat=  1121, 1137, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE H  76 PHE HA 4.65 
 &rst iat=  1137, 1193, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE H  75 ASN HB2 4.48 
 &rst iat=  1137, 1181, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB3  72 ILE H 3.95 
 &rst iat=  1122, 1137, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE H  72 ILE HB 3.37 
 &rst iat=  1137, 1141, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG H 5.50 
 &rst iat= -1, 856, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS H  33 LEU H 4.95 
 &rst iat=  459, 500, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  33 LEU H 4.29 
 &rst iat=  446, 500, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID 2HB 3HB    33 LEU H 5.18 
 &rst iat= 500, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 0,  igr2= 523, 524,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU H  33 LEU HB2 2.91 
 &rst iat=  500, 504, r1= 2.41, r2= 2.91,
 r3= 2.91, r4= 3.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU H  33 LEU HB3 3.71 
 &rst iat=  500, 505, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    33 LEU H 4.93 
 &rst iat= -1, 500, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU H  33 LEU CG 4.18 
 &rst iat=  500, 506, r1= 3.68, r2= 4.18,
 r3= 8.58, r4= 9.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU H  33 LEU HG 4.01 
 &rst iat=  500, 507, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU H 5.31 
 &rst iat= 500, -1, r1= 5.88, r2= 6.38, r3= 6.38, r4= 6.88,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HA  86 LEU H 3.94 
 &rst iat=  1280, 1322, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  87 ASP HB3 5.03 
 &rst iat=  1322, 1346, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  87 ASP HB2 5.33 
 &rst iat=  1322, 1345, r1= 4.83, r2= 5.33,
 r3= 5.33, r4= 5.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  86 LEU HB2 3.09 
 &rst iat=  1322, 1326, r1= 2.59, r2= 3.09,
 r3= 3.09, r4= 3.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  86 LEU HG 3.22 
 &rst iat=  1322, 1329, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  86 LEU HB3 3.59 
 &rst iat=  1322, 1327, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  86 LEU CG 4.01 
 &rst iat=  1322, 1328, r1= 3.51, r2= 4.01,
 r3= 8.41, r4= 8.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID H  35 ALA H 3.31 
 &rst iat=  519, 536, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU H  35 ALA H 4.75 
 &rst iat=  500, 536, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA H  36 ARG H 3.12 
 &rst iat=  536, 546, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU HA  35 ALA H 4.03 
 &rst iat=  483, 536, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  35 ALA H 4.53 
 &rst iat=  502, 536, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID 2HB 3HB    35 ALA H 3.54 
 &rst iat= -1, 536, r1= 3.47, r2= 3.97, r3= 3.97, r4= 4.47,
 igr1= 523, 524,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU HB3  35 ALA H 5.15 
 &rst iat=  486, 536, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    35 ALA H 3.02 
 &rst iat= 536, -1, r1= 3.13, r2= 3.63, r3= 3.63, r4= 4.13,
 igr1= 0,  igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    35 ALA H 5.50 
 &rst iat= -1, 536, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU CG  35 ALA H 5.50 
 &rst iat=  506, 536, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID HD2  35 ALA H 5.50 
 &rst iat=  532, 536, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID 2HB 3HB    34 HID H 3.00 
 &rst iat= 519, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 523, 524,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU CG  34 HID H 5.50 
 &rst iat=  506, 519, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN H  55 ARG H 5.39 
 &rst iat=  820, 856, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU HA  55 ARG H 4.00 
 &rst iat=  807, 856, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG H  55 ARG HD2 5.11 
 &rst iat=  856, 866, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HB  55 ARG H 5.50 
 &rst iat=  709, 856, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    55 ARG H 3.20 
 &rst iat= 856, -1, r1= 3.09, r2= 3.59, r3= 3.59, r4= 4.09,
 igr1= 0,  igr2= 861, 860,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG H  55 ARG HG2 4.03 
 &rst iat=  856, 863, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU HB2  55 ARG H 4.19 
 &rst iat=  841, 856, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    55 ARG H 5.50 
 &rst iat= -1, 856, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS H  93 ASP H 4.08 
 &rst iat=  1397, 1438, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP H  95 LEU H 4.53 
 &rst iat=  1438, 1457, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP H  96 LEU H 5.01 
 &rst iat=  1438, 1476, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  93 ASP H 5.39 
 &rst iat=  1343, 1438, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS HA  93 ASP H 5.25 
 &rst iat=  1399, 1438, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP H  93 ASP HB3 3.50 
 &rst iat=  1438, 1443, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP H  93 ASP HB2 3.04 
 &rst iat=  1438, 1442, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HB3  93 ASP H 3.33 
 &rst iat=  1424, 1438, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HG  93 ASP H 4.42 
 &rst iat=  1426, 1438, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HB2  93 ASP H 3.90 
 &rst iat=  1423, 1438, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU CG  93 ASP H 4.56 
 &rst iat=  1425, 1438, r1= 4.06, r2= 4.56,
 r3= 8.96, r4= 9.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU H  86 LEU H 4.43 
 &rst iat=  1297, 1322, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA H  86 LEU H 3.31 
 &rst iat=  1312, 1322, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU H  34 HID H 3.48 
 &rst iat=  500, 519, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  34 HID H 4.56 
 &rst iat=  481, 519, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID H  34 HID HD2 4.59 
 &rst iat=  519, 532, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS HA  34 HID H 3.97 
 &rst iat=  461, 519, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HB2  34 HID H 3.59 
 &rst iat=  504, 519, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    34 HID H 5.19 
 &rst iat= 519, -1, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 0,  igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HB3  34 HID H 4.15 
 &rst iat=  505, 519, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    34 HID H 4.69 
 &rst iat= 519, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID H  35 ALA HA 5.50 
 &rst iat=  519, 538, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU H  85 ALA HA 5.50 
 &rst iat=  1297, 1314, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU 3HG 2HG    84 GLU H 3.30 
 &rst iat= 1297, -1, r1= 3.20, r2= 3.70, r3= 3.70, r4= 4.20,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HB3  84 GLU H 2.83 
 &rst iat=  1283, 1297, r1= 2.33, r2= 2.83,
 r3= 2.83, r4= 3.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HG  84 GLU H 4.16 
 &rst iat=  1285, 1297, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    84 GLU H 5.16 
 &rst iat= -1, 1297, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 1292, 1293, 1291,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    84 GLU H 5.16 
 &rst iat= -1, 1297, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 1288, 1287, 1289,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS 2HB 3HB    63 LYS H 3.72 
 &rst iat= 990, -1, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 0,  igr2= 994, 995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN H  63 LYS H 5.48 
 &rst iat=  942, 990, r1= 4.98, r2= 5.48,
 r3= 5.48, r4= 5.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  63 LYS H 3.07 
 &rst iat=  969, 990, r1= 2.57, r2= 3.07,
 r3= 3.07, r4= 3.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN HA  63 LYS H 4.82 
 &rst iat=  944, 990, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS H  63 LYS HA 2.86 
 &rst iat=  990, 992, r1= 2.36, r2= 2.86,
 r3= 2.86, r4= 3.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    63 LYS H 5.41 
 &rst iat= -1, 990, r1= 5.57, r2= 6.07, r3= 6.07, r4= 6.57,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HB3  63 LYS H 5.22 
 &rst iat=  974, 990, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HB2  63 LYS H 4.40 
 &rst iat=  973, 990, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 3HD 2HD    63 LYS H 4.35 
 &rst iat= 990, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 1001, 1000,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS H  63 LYS HG3 4.43 
 &rst iat=  990, 998, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS H  63 LYS HG2 4.15 
 &rst iat=  990, 997, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 ALA HA  63 LYS H 5.17 
 &rst iat=  961, 990, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  16 VAL H 5.21 
 &rst iat=  204, 220, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU H  91 LYS H 4.69 
 &rst iat=  1375, 1397, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  91 LYS H 4.68 
 &rst iat=  1343, 1397, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS H  91 LYS HB3 3.42 
 &rst iat=  1397, 1402, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS H  91 LYS HB2 3.02 
 &rst iat=  1397, 1401, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS 3HG 2HG    91 LYS H 3.62 
 &rst iat= 1397, -1, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 0,  igr2= 1405, 1404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU HB3  91 LYS H 4.31 
 &rst iat=  1327, 1397, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  41 THR H 4.80 
 &rst iat=  204, 637, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  15 VAL H 3.51 
 &rst iat=  182, 204, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  40 ILE HA 3.73 
 &rst iat=  204, 620, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB3  15 VAL H 3.92 
 &rst iat=  173, 204, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB2  15 VAL H 4.19 
 &rst iat=  172, 204, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB3  15 VAL H 3.38 
 &rst iat=  187, 204, r1= 2.88, r2= 3.38,
 r3= 3.38, r4= 3.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB2  15 VAL H 3.91 
 &rst iat=  186, 204, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  15 VAL HB 3.36 
 &rst iat=  204, 208, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  15 VAL CB 3.51 
 &rst iat=  204, 207, r1= 3.01, r2= 3.51,
 r3= 7.91, r4= 8.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN H  61 ALA H 3.48 
 &rst iat=  942, 959, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR H  61 ALA H 5.45 
 &rst iat=  921, 959, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 ALA H  63 LYS H 4.54 
 &rst iat=  959, 990, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HG 3HG    61 ALA H 4.83 
 &rst iat= -1, 959, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 949, 950,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    61 ALA H 3.16 
 &rst iat= 959, -1, r1= 3.29, r2= 3.79, r3= 3.79, r4= 4.29,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS H  11 LYS HB3 3.71 
 &rst iat=  139, 144, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU H  31 LYS H 3.34 
 &rst iat=  444, 459, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA H  30 GLU H 3.40 
 &rst iat=  434, 444, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU H  30 GLU HG3 3.37 
 &rst iat=  444, 452, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    30 GLU H 3.16 
 &rst iat= 444, -1, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 0,  igr2= 448, 449,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU H  30 GLU HG2 3.95 
 &rst iat=  444, 451, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    30 GLU H 3.62 
 &rst iat= -1, 444, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS H  13 ASN H 5.24 
 &rst iat=  139, 168, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    11 LYS H 5.50 
 &rst iat= 139, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE H  11 LYS H 3.51 
 &rst iat=  120, 139, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS H  12 GLY H 3.16 
 &rst iat=  139, 161, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 SER HA  11 LYS H 4.40 
 &rst iat=  94, 139, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET HA  11 LYS H 4.91 
 &rst iat=  105, 139, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS H  12 GLY HA2 5.05 
 &rst iat=  139, 163, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS H  11 LYS HB2 3.17 
 &rst iat=  139, 143, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HD 2HD    11 LYS H 3.78 
 &rst iat= 139, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 150, 149,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HG 2HG    11 LYS H 4.14 
 &rst iat= 139, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 147, 146,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    11 LYS H 3.95 
 &rst iat= -1, 139, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 130, 131,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    11 LYS H 5.50 
 &rst iat= -1, 139, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    11 LYS H 4.99 
 &rst iat= -1, 139, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 ASP H  40 ILE H 4.21 
 &rst iat=  606, 618, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE H  41 THR H 4.72 
 &rst iat=  618, 637, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HA  40 ILE H 2.98 
 &rst iat=  608, 618, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HB2  40 ILE H 4.69 
 &rst iat=  610, 618, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HB3  40 ILE H 4.71 
 &rst iat=  611, 618, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE H  40 ILE HB 3.67 
 &rst iat=  618, 622, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  40 ILE H 4.84 
 &rst iat=  207, 618, r1= 4.34, r2= 4.84,
 r3= 9.24, r4= 9.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    40 ILE H 3.37 
 &rst iat= 618, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL HB  40 ILE H 5.03 
 &rst iat=  208, 618, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 GLY H  96 LEU H 5.21 
 &rst iat=  1450, 1476, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  96 LEU H 4.33 
 &rst iat=  1421, 1476, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 GLY HA3  96 LEU H 5.06 
 &rst iat=  1453, 1476, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB2  96 LEU H 3.57 
 &rst iat=  1461, 1476, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU H  96 LEU HB2 3.03 
 &rst iat=  1476, 1480, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU H  96 LEU HG 3.29 
 &rst iat=  1476, 1483, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB3  96 LEU H 3.95 
 &rst iat=  1462, 1476, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU CG  96 LEU H 4.68 
 &rst iat=  1463, 1476, r1= 4.18, r2= 4.68,
 r3= 9.08, r4= 9.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU H  96 LEU CG 4.10 
 &rst iat=  1476, 1482, r1= 3.60, r2= 4.10,
 r3= 8.50, r4= 9.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID H  36 ARG H 5.04 
 &rst iat=  519, 546, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID HA  36 ARG H 4.33 
 &rst iat=  521, 546, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG 2HD 3HD    36 ARG H 4.37 
 &rst iat= 546, -1, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 0,  igr2= 556, 557,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG H  36 ARG HB2 3.26 
 &rst iat=  546, 550, r1= 2.76, r2= 3.26,
 r3= 3.26, r4= 3.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    36 ARG H 3.83 
 &rst iat= -1, 546, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 540, 542, 541,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    36 ARG H 4.68 
 &rst iat= -1, 546, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 GLU H  89 GLU HB3 3.69 
 &rst iat=  1375, 1380, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS H  89 GLU H 3.49 
 &rst iat=  1353, 1375, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA HA  89 GLU H 4.76 
 &rst iat=  1314, 1375, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU H  89 GLU HG3 3.72 
 &rst iat=  1375, 1383, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU H  89 GLU HB2 2.96 
 &rst iat=  1375, 1379, r1= 2.46, r2= 2.96,
 r3= 2.96, r4= 3.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HG 2HG    89 GLU H 4.90 
 &rst iat= -1, 1375, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 1361, 1360,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 ASN H  14 LYS H 4.56 
 &rst iat=  168, 182, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN H  13 ASN HB3 4.01 
 &rst iat=  168, 173, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN H  13 ASN HB2 3.87 
 &rst iat=  168, 172, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 GLY H  13 ASN H 3.30 
 &rst iat=  161, 168, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    13 ASN H 3.31 
 &rst iat= 168, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    13 ASN H 5.20 
 &rst iat= 168, -1, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 0,  igr2= 228, 227, 226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE H  10 ILE HB 3.92 
 &rst iat=  120, 124, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA H  10 ILE H 5.50 
 &rst iat=  82, 120, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE H  18 PHE HZ 5.50 
 &rst iat=  120, 264, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET H  10 ILE H 3.56 
 &rst iat=  103, 120, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET HG2  10 ILE H 5.50 
 &rst iat=  110, 120, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET 2HB 3HB    10 ILE H 3.90 
 &rst iat= -1, 120, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 107, 108,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    10 ILE H 3.30 
 &rst iat= 120, -1, r1= 3.20, r2= 3.70, r3= 3.70, r4= 4.20,
 igr1= 0,  igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    10 ILE H 4.79 
 &rst iat= 120, -1, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 0,  igr2= 126, 127, 128,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    10 ILE H 3.72 
 &rst iat= 120, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG H  37 THR H 2.83 
 &rst iat=  546, 570, r1= 2.33, r2= 2.83,
 r3= 2.83, r4= 3.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA H  37 THR H 4.47 
 &rst iat=  536, 570, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA HA  37 THR H 5.24 
 &rst iat=  538, 570, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR H  37 THR HB 3.83 
 &rst iat=  570, 574, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  37 THR H 4.93 
 &rst iat=  502, 570, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR H  92 LEU CG 4.97 
 &rst iat=  570, 1425, r1= 4.47, r2= 4.97,
 r3= 9.37, r4= 9.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID H  37 THR H 5.28 
 &rst iat=  519, 570, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR H  38 LYS H 4.49 
 &rst iat=  570, 584, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG 2HD 3HD    37 THR H 4.81 
 &rst iat= -1, 570, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 556, 557,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG HB3  37 THR H 4.10 
 &rst iat=  551, 570, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG HB2  37 THR H 3.83 
 &rst iat=  550, 570, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN H  62 TYR H 5.29 
 &rst iat=  942, 969, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  64 HID H 4.60 
 &rst iat=  969, 1012, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE HA  62 TYR H 4.54 
 &rst iat=  904, 969, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  63 LYS HA 4.35 
 &rst iat=  969, 992, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  62 TYR HB3 4.17 
 &rst iat=  969, 974, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  62 TYR HB2 3.77 
 &rst iat=  969, 973, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    62 TYR H 5.32 
 &rst iat= 969, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 994, 995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    62 TYR H 3.73 
 &rst iat= -1, 969, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 963, 964, 965,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HE2 HE1    62 TYR H 5.50 
 &rst iat= 969, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 VAL H  68 PRO HA 5.12 
 &rst iat=  1058, 1084, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 THR HA  67 VAL H 2.88 
 &rst iat=  1046, 1058, r1= 2.38, r2= 2.88,
 r3= 2.88, r4= 3.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG HG3  56 GLY H 4.75 
 &rst iat=  864, 880, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU H  56 GLY H 4.37 
 &rst iat=  837, 880, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 GLY H  57 GLU H 3.54 
 &rst iat=  880, 887, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 GLY H  57 GLU HG2 5.50 
 &rst iat=  880, 894, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    56 GLY H 3.49 
 &rst iat= -1, 880, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 861, 860,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER H  10 ILE H 5.50 
 &rst iat=  92, 120, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 SER H  9 MET H 3.45 
 &rst iat=  92, 103, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HA  8 SER H 5.16 
 &rst iat=  54, 92, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 SER 3HB 2HB    8 SER H 3.26 
 &rst iat= 92, -1, r1= 3.16, r2= 3.66, r3= 3.66, r4= 4.16,
 igr1= 0,  igr2= 97, 96,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    8 SER H 3.88 
 &rst iat= -1, 92, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 87, 88, 86,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA H  8 SER H 3.72 
 &rst iat=  82, 92, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 SER H  9 MET HG2 5.50 
 &rst iat=  92, 110, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLY HA2  79 GLY H 3.15 
 &rst iat=  1232, 1237, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 GLY H  80 CYS H 5.50 
 &rst iat=  1237, 1244, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    79 GLY H 5.50 
 &rst iat= -1, 1237, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HA  51 GLY H 4.98 
 &rst iat=  707, 798, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU H  51 GLY H 3.89 
 &rst iat=  783, 798, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY H  52 GLU H 3.84 
 &rst iat=  798, 805, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 SER HA  51 GLY H 4.64 
 &rst iat=  774, 798, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 SER 2HB 3HB    51 GLY H 5.40 
 &rst iat= -1, 798, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 776, 777,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HB  51 GLY H 4.48 
 &rst iat=  709, 798, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU HB3  51 GLY H 5.03 
 &rst iat=  788, 798, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    51 GLY H 5.43 
 &rst iat= 798, -1, r1= 6.02, r2= 6.52, r3= 6.52, r4= 7.02,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS H  90 GLY H 4.61 
 &rst iat=  1353, 1390, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU H  90 GLY H 3.30 
 &rst iat=  1375, 1390, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLY H  92 LEU H 4.24 
 &rst iat=  1390, 1419, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  90 GLY H 4.36 
 &rst iat=  1343, 1390, r1= 3.86, r2= 4.36,
 r3= 4.36, r4= 4.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU HB2  90 GLY H 4.15 
 &rst iat=  1379, 1390, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLY H  91 LYS HB2 4.88 
 &rst iat=  1390, 1401, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 THR H  67 VAL H 4.89 
 &rst iat=  1044, 1058, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR HE1 HE2    66 THR H 5.39 
 &rst iat= -1, 1044, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 931, 936,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 THR H  66 THR HB 4.21 
 &rst iat=  1044, 1048, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 GLU 2HG 3HG    66 THR H 5.50 
 &rst iat= -1, 1044, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1036, 1037,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 GLU H  66 THR H 3.90 
 &rst iat=  1029, 1044, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 GLU HB3  66 THR H 4.60 
 &rst iat=  1034, 1044, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 GLU HB2  66 THR H 4.39 
 &rst iat=  1033, 1044, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS HA  94 GLY H 4.89 
 &rst iat=  1399, 1450, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HB3  94 GLY H 4.35 
 &rst iat=  1443, 1450, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HB2  94 GLY H 3.89 
 &rst iat=  1442, 1450, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE H  12 GLY H 5.26 
 &rst iat=  120, 161, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET HA  12 GLY H 4.89 
 &rst iat=  105, 161, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS HB3  12 GLY H 4.87 
 &rst iat=  144, 161, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS HB2  12 GLY H 4.80 
 &rst iat=  143, 161, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HD 2HD    12 GLY H 5.50 
 &rst iat= -1, 161, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 150, 149,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ASN HB3  74 GLY H 5.19 
 &rst iat=  1161, 1170, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE HA  74 GLY H 4.61 
 &rst iat=  1139, 1170, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS HA  74 GLY H 5.36 
 &rst iat=  141, 1170, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB3  74 GLY H 5.09 
 &rst iat=  1122, 1170, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE HB  74 GLY H 5.29 
 &rst iat=  124, 1170, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    74 GLY H 5.50 
 &rst iat= -1, 1170, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    74 GLY H 5.50 
 &rst iat= -1, 1170, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  (5 SER C) - (6 ILE N) - (6 ILE CA) - (6 ILE C)  
 &rst iat=  60, 62, 64, 79, 
 r1= -99.0, r2= -69.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (6 ILE N) - (6 ILE CA) - (6 ILE C) - (7 ALA N)  
 &rst iat=  62, 64, 79, 81, 
 r1= -75.0, r2= -45.0, r3= -35.0, r4= -5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (6 ILE C) - (7 ALA N) - (7 ALA CA) - (7 ALA C)  
 &rst iat=  79, 81, 83, 89, 
 r1= -96.0, r2= -66.0, r3= -54.0, r4= -24.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (7 ALA N) - (7 ALA CA) - (7 ALA C) - (8 SER N)  
 &rst iat=  81, 83, 89, 91, 
 r1= -76.0, r2= -46.0, r3= -40.0, r4= -10.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (7 ALA C) - (8 SER N) - (8 SER CA) - (8 SER C)  
 &rst iat=  89, 91, 93, 100, 
 r1= -101.0, r2= -71.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (8 SER N) - (8 SER CA) - (8 SER C) - (9 MET N)  
 &rst iat=  91, 93, 100, 102, 
 r1= -75.0, r2= -45.0, r3= -39.0, r4= -9.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (8 SER C) - (9 MET N) - (9 MET CA) - (9 MET C)  
 &rst iat=  100, 102, 104, 117, 
 r1= -99.0, r2= -69.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (9 MET N) - (9 MET CA) - (9 MET C) - (10 ILE N)  
 &rst iat=  102, 104, 117, 119, 
 r1= -81.0, r2= -51.0, r3= -33.0, r4= -3.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (9 MET C) - (10 ILE N) - (10 ILE CA) - (10 ILE C)  
 &rst iat=  117, 119, 121, 136, 
 r1= -111.0, r2= -81.0, r3= -61.0, r4= -31.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (10 ILE N) - (10 ILE CA) - (10 ILE C) - (11 LYS N)  
 &rst iat=  119, 121, 136, 138, 
 r1= -74.0, r2= -44.0, r3= -14.0, r4= 16.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (10 ILE C) - (11 LYS N) - (11 LYS CA) - (11 LYS C)  
 &rst iat=  136, 138, 140, 158, 
 r1= -133.0, r2= -103.0, r3= -91.0, r4= -61.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LYS N) - (11 LYS CA) - (11 LYS C) - (12 GLY N)  
 &rst iat=  138, 140, 158, 160, 
 r1= -44.0, r2= -14.0, r3= 14.0, r4= 44.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (12 GLY C) - (13 ASN N) - (13 ASN CA) - (13 ASN C)  
 &rst iat=  165, 167, 169, 179, 
 r1= -165.0, r2= -135.0, r3= -81.0, r4= -51.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (13 ASN N) - (13 ASN CA) - (13 ASN C) - (14 LYS N)  
 &rst iat=  167, 169, 179, 181, 
 r1= 109.0, r2= 139.0, r3= 163.0, r4= 193.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (13 ASN C) - (14 LYS N) - (14 LYS CA) - (14 LYS C)  
 &rst iat=  179, 181, 183, 201, 
 r1= -122.0, r2= -92.0, r3= -64.0, r4= -34.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (14 LYS N) - (14 LYS CA) - (14 LYS C) - (15 VAL N)  
 &rst iat=  181, 183, 201, 203, 
 r1= -78.0, r2= -48.0, r3= -16.0, r4= 14.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (14 LYS C) - (15 VAL N) - (15 VAL CA) - (15 VAL C)  
 &rst iat=  201, 203, 205, 217, 
 r1= -184.0, r2= -154.0, r3= -110.0, r4= -80.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (15 VAL N) - (15 VAL CA) - (15 VAL C) - (16 VAL N)  
 &rst iat=  203, 205, 217, 219, 
 r1= 94.0, r2= 124.0, r3= 148.0, r4= 178.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (15 VAL C) - (16 VAL N) - (16 VAL CA) - (16 VAL C)  
 &rst iat=  217, 219, 221, 233, 
 r1= -167.0, r2= -137.0, r3= -103.0, r4= -73.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (16 VAL N) - (16 VAL CA) - (16 VAL C) - (17 VAL N)  
 &rst iat=  219, 221, 233, 235, 
 r1= 100.0, r2= 130.0, r3= 148.0, r4= 178.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (16 VAL C) - (17 VAL N) - (17 VAL CA) - (17 VAL C)  
 &rst iat=  233, 235, 237, 249, 
 r1= -168.0, r2= -138.0, r3= -114.0, r4= -84.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (17 VAL N) - (17 VAL CA) - (17 VAL C) - (18 PHE N)  
 &rst iat=  235, 237, 249, 251, 
 r1= 103.0, r2= 133.0, r3= 157.0, r4= 187.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (17 VAL C) - (18 PHE N) - (18 PHE CA) - (18 PHE C)  
 &rst iat=  249, 251, 253, 269, 
 r1= -150.0, r2= -120.0, r3= -96.0, r4= -66.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (18 PHE N) - (18 PHE CA) - (18 PHE C) - (19 SER N)  
 &rst iat=  251, 253, 269, 271, 
 r1= 89.0, r2= 119.0, r3= 137.0, r4= 167.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (18 PHE C) - (19 SER N) - (19 SER CA) - (19 SER C)  
 &rst iat=  269, 271, 273, 280, 
 r1= -186.0, r2= -156.0, r3= -114.0, r4= -84.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (19 SER N) - (19 SER CA) - (19 SER C) - (20 TRP N)  
 &rst iat=  271, 273, 280, 282, 
 r1= 115.0, r2= 145.0, r3= 165.0, r4= 195.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (19 SER C) - (20 TRP N) - (20 TRP CA) - (20 TRP C)  
 &rst iat=  280, 282, 284, 304, 
 r1= -169.0, r2= -139.0, r3= -117.0, r4= -87.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (20 TRP N) - (20 TRP CA) - (20 TRP C) - (21 VAL N)  
 &rst iat=  282, 284, 304, 306, 
 r1= 99.0, r2= 129.0, r3= 155.0, r4= 185.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (20 TRP C) - (21 VAL N) - (21 VAL CA) - (21 VAL C)  
 &rst iat=  304, 306, 308, 320, 
 r1= -110.0, r2= -80.0, r3= -64.0, r4= -34.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (21 VAL N) - (21 VAL CA) - (21 VAL C) - (22 THR N)  
 &rst iat=  306, 308, 320, 322, 
 r1= 93.0, r2= 123.0, r3= 143.0, r4= 173.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (21 VAL C) - (22 THR N) - (22 THR CA) - (22 THR C)  
 &rst iat=  320, 322, 324, 334, 
 r1= -137.0, r2= -107.0, r3= -95.0, r4= -65.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (22 THR N) - (22 THR CA) - (22 THR C) - (23 CYS N)  
 &rst iat=  322, 324, 334, 336, 
 r1= 87.0, r2= 117.0, r3= 137.0, r4= 167.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (22 THR C) - (23 CYS N) - (23 CYS CA) - (23 CYS C)  
 &rst iat=  334, 336, 338, 345, 
 r1= -168.0, r2= -138.0, r3= -96.0, r4= -66.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (23 CYS N) - (23 CYS CA) - (23 CYS C) - (24 PRO N)  
 &rst iat=  336, 338, 345, 347, 
 r1= 79.0, r2= 109.0, r3= 139.0, r4= 169.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (24 PRO C) - (25 TYR N) - (25 TYR CA) - (25 TYR C)  
 &rst iat=  359, 361, 363, 380, 
 r1= -107.0, r2= -77.0, r3= -51.0, r4= -21.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (25 TYR N) - (25 TYR CA) - (25 TYR C) - (26 CYS N)  
 &rst iat=  361, 363, 380, 382, 
 r1= -81.0, r2= -51.0, r3= -11.0, r4= 19.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (25 TYR C) - (26 CYS N) - (26 CYS CA) - (26 CYS C)  
 &rst iat=  380, 382, 384, 391, 
 r1= -96.0, r2= -66.0, r3= -58.0, r4= -28.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (26 CYS N) - (26 CYS CA) - (26 CYS C) - (27 VAL N)  
 &rst iat=  382, 384, 391, 393, 
 r1= -76.0, r2= -46.0, r3= -40.0, r4= -10.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (26 CYS C) - (27 VAL N) - (27 VAL CA) - (27 VAL C)  
 &rst iat=  391, 393, 395, 407, 
 r1= -98.0, r2= -68.0, r3= -56.0, r4= -26.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (27 VAL N) - (27 VAL CA) - (27 VAL C) - (28 ARG N)  
 &rst iat=  393, 395, 407, 409, 
 r1= -80.0, r2= -50.0, r3= -40.0, r4= -10.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (27 VAL C) - (28 ARG N) - (28 ARG CA) - (28 ARG C)  
 &rst iat=  407, 409, 411, 431, 
 r1= -100.0, r2= -70.0, r3= -60.0, r4= -30.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (28 ARG N) - (28 ARG CA) - (28 ARG C) - (29 ALA N)  
 &rst iat=  409, 411, 431, 433, 
 r1= -80.0, r2= -50.0, r3= -34.0, r4= -4.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (28 ARG C) - (29 ALA N) - (29 ALA CA) - (29 ALA C)  
 &rst iat=  431, 433, 435, 441, 
 r1= -97.0, r2= -67.0, r3= -61.0, r4= -31.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (29 ALA N) - (29 ALA CA) - (29 ALA C) - (30 GLU N)  
 &rst iat=  433, 435, 441, 443, 
 r1= -80.0, r2= -50.0, r3= -32.0, r4= -2.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (29 ALA C) - (30 GLU N) - (30 GLU CA) - (30 GLU C)  
 &rst iat=  441, 443, 445, 456, 
 r1= -96.0, r2= -66.0, r3= -58.0, r4= -28.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (30 GLU N) - (30 GLU CA) - (30 GLU C) - (31 LYS N)  
 &rst iat=  443, 445, 456, 458, 
 r1= -77.0, r2= -47.0, r3= -37.0, r4= -7.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (30 GLU C) - (31 LYS N) - (31 LYS CA) - (31 LYS C)  
 &rst iat=  456, 458, 460, 478, 
 r1= -97.0, r2= -67.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (31 LYS N) - (31 LYS CA) - (31 LYS C) - (32 LEU N)  
 &rst iat=  458, 460, 478, 480, 
 r1= -83.0, r2= -53.0, r3= -39.0, r4= -9.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (31 LYS C) - (32 LEU N) - (32 LEU CA) - (32 LEU C)  
 &rst iat=  478, 480, 482, 497, 
 r1= -99.0, r2= -69.0, r3= -61.0, r4= -31.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (32 LEU N) - (32 LEU CA) - (32 LEU C) - (33 LEU N)  
 &rst iat=  480, 482, 497, 499, 
 r1= -79.0, r2= -49.0, r3= -41.0, r4= -11.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (32 LEU C) - (33 LEU N) - (33 LEU CA) - (33 LEU C)  
 &rst iat=  497, 499, 501, 516, 
 r1= -98.0, r2= -68.0, r3= -56.0, r4= -26.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (33 LEU N) - (33 LEU CA) - (33 LEU C) - (34 HID N)  
 &rst iat=  499, 501, 516, 518, 
 r1= -76.0, r2= -46.0, r3= -36.0, r4= -6.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (33 LEU C) - (34 HID N) - (34 HID CA) - (34 HID C)  
 &rst iat=  516, 518, 520, 533, 
 r1= -100.0, r2= -70.0, r3= -58.0, r4= -28.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (34 HID N) - (34 HID CA) - (34 HID C) - (35 ALA N)  
 &rst iat=  518, 520, 533, 535, 
 r1= -80.0, r2= -50.0, r3= -34.0, r4= -4.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (34 HID C) - (35 ALA N) - (35 ALA CA) - (35 ALA C)  
 &rst iat=  533, 535, 537, 543, 
 r1= -120.0, r2= -90.0, r3= -58.0, r4= -28.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (35 ALA N) - (35 ALA CA) - (35 ALA C) - (36 ARG N)  
 &rst iat=  535, 537, 543, 545, 
 r1= -70.0, r2= -40.0, r3= -12.0, r4= 18.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (35 ALA C) - (36 ARG N) - (36 ARG CA) - (36 ARG C)  
 &rst iat=  543, 545, 547, 567, 
 r1= -141.0, r2= -111.0, r3= -87.0, r4= -57.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (36 ARG N) - (36 ARG CA) - (36 ARG C) - (37 THR N)  
 &rst iat=  545, 547, 567, 569, 
 r1= -58.0, r2= -28.0, r3= 16.0, r4= 46.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (37 THR C) - (38 LYS N) - (38 LYS CA) - (38 LYS C)  
 &rst iat=  581, 583, 585, 603, 
 r1= -153.0, r2= -123.0, r3= -75.0, r4= -45.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (38 LYS N) - (38 LYS CA) - (38 LYS C) - (39 ASP N)  
 &rst iat=  583, 585, 603, 605, 
 r1= 88.0, r2= 118.0, r3= 150.0, r4= 180.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (38 LYS C) - (39 ASP N) - (39 ASP CA) - (39 ASP C)  
 &rst iat=  603, 605, 607, 615, 
 r1= -164.0, r2= -134.0, r3= -64.0, r4= -34.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (39 ASP N) - (39 ASP CA) - (39 ASP C) - (40 ILE N)  
 &rst iat=  605, 607, 615, 617, 
 r1= 71.0, r2= 101.0, r3= 169.0, r4= 199.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (39 ASP C) - (40 ILE N) - (40 ILE CA) - (40 ILE C)  
 &rst iat=  615, 617, 619, 634, 
 r1= -166.0, r2= -136.0, r3= -120.0, r4= -90.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (40 ILE N) - (40 ILE CA) - (40 ILE C) - (41 THR N)  
 &rst iat=  617, 619, 634, 636, 
 r1= 103.0, r2= 133.0, r3= 153.0, r4= 183.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (40 ILE C) - (41 THR N) - (41 THR CA) - (41 THR C)  
 &rst iat=  634, 636, 638, 648, 
 r1= -174.0, r2= -144.0, r3= -120.0, r4= -90.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (41 THR N) - (41 THR CA) - (41 THR C) - (42 VAL N)  
 &rst iat=  636, 638, 648, 650, 
 r1= 84.0, r2= 114.0, r3= 140.0, r4= 170.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (41 THR C) - (42 VAL N) - (42 VAL CA) - (42 VAL C)  
 &rst iat=  648, 650, 652, 664, 
 r1= -149.0, r2= -119.0, r3= -101.0, r4= -71.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (42 VAL N) - (42 VAL CA) - (42 VAL C) - (43 HID N)  
 &rst iat=  650, 652, 664, 666, 
 r1= 82.0, r2= 112.0, r3= 138.0, r4= 168.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (42 VAL C) - (43 HID N) - (43 HID CA) - (43 HID C)  
 &rst iat=  664, 666, 668, 681, 
 r1= -141.0, r2= -111.0, r3= -89.0, r4= -59.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (43 HID N) - (43 HID CA) - (43 HID C) - (44 TYR N)  
 &rst iat=  666, 668, 681, 683, 
 r1= 76.0, r2= 106.0, r3= 132.0, r4= 162.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (44 TYR C) - (45 VAL N) - (45 VAL CA) - (45 VAL C)  
 &rst iat=  702, 704, 706, 718, 
 r1= -127.0, r2= -97.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (45 VAL N) - (45 VAL CA) - (45 VAL C) - (46 ASP N)  
 &rst iat=  704, 706, 718, 720, 
 r1= -65.0, r2= -35.0, r3= 5.0, r4= 35.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (48 MET C) - (49 SER N) - (49 SER CA) - (49 SER C)  
 &rst iat=  769, 771, 773, 780, 
 r1= -92.0, r2= -62.0, r3= -52.0, r4= -22.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (49 SER N) - (49 SER CA) - (49 SER C) - (50 GLU N)  
 &rst iat=  771, 773, 780, 782, 
 r1= -77.0, r2= -47.0, r3= -27.0, r4= 3.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (49 SER C) - (50 GLU N) - (50 GLU CA) - (50 GLU C)  
 &rst iat=  780, 782, 784, 795, 
 r1= -103.0, r2= -73.0, r3= -55.0, r4= -25.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (50 GLU N) - (50 GLU CA) - (50 GLU C) - (51 GLY N)  
 &rst iat=  782, 784, 795, 797, 
 r1= -81.0, r2= -51.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (50 GLU C) - (51 GLY N) - (51 GLY CA) - (51 GLY C)  
 &rst iat=  795, 797, 799, 802, 
 r1= -99.0, r2= -69.0, r3= -53.0, r4= -23.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (51 GLY N) - (51 GLY CA) - (51 GLY C) - (52 GLU N)  
 &rst iat=  797, 799, 802, 804, 
 r1= -80.0, r2= -50.0, r3= -30.0, r4= 0.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (51 GLY C) - (52 GLU N) - (52 GLU CA) - (52 GLU C)  
 &rst iat=  802, 804, 806, 817, 
 r1= -101.0, r2= -71.0, r3= -63.0, r4= -33.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (52 GLU N) - (52 GLU CA) - (52 GLU C) - (53 GLN N)  
 &rst iat=  804, 806, 817, 819, 
 r1= -75.0, r2= -45.0, r3= -35.0, r4= -5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (52 GLU C) - (53 GLN N) - (53 GLN CA) - (53 GLN C)  
 &rst iat=  817, 819, 821, 834, 
 r1= -102.0, r2= -72.0, r3= -64.0, r4= -34.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (53 GLN N) - (53 GLN CA) - (53 GLN C) - (54 LEU N)  
 &rst iat=  819, 821, 834, 836, 
 r1= -75.0, r2= -45.0, r3= -35.0, r4= -5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (53 GLN C) - (54 LEU N) - (54 LEU CA) - (54 LEU C)  
 &rst iat=  834, 836, 838, 853, 
 r1= -99.0, r2= -69.0, r3= -61.0, r4= -31.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (54 LEU N) - (54 LEU CA) - (54 LEU C) - (55 ARG N)  
 &rst iat=  836, 838, 853, 855, 
 r1= -81.0, r2= -51.0, r3= -37.0, r4= -7.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (54 LEU C) - (55 ARG N) - (55 ARG CA) - (55 ARG C)  
 &rst iat=  853, 855, 857, 877, 
 r1= -97.0, r2= -67.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (55 ARG N) - (55 ARG CA) - (55 ARG C) - (56 GLY N)  
 &rst iat=  855, 857, 877, 879, 
 r1= -73.0, r2= -43.0, r3= -35.0, r4= -5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (55 ARG C) - (56 GLY N) - (56 GLY CA) - (56 GLY C)  
 &rst iat=  877, 879, 881, 884, 
 r1= -100.0, r2= -70.0, r3= -60.0, r4= -30.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (56 GLY N) - (56 GLY CA) - (56 GLY C) - (57 GLU N)  
 &rst iat=  879, 881, 884, 886, 
 r1= -71.0, r2= -41.0, r3= -35.0, r4= -5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (57 GLU C) - (58 ILE N) - (58 ILE CA) - (58 ILE C)  
 &rst iat=  899, 901, 903, 918, 
 r1= -97.0, r2= -67.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (58 ILE N) - (58 ILE CA) - (58 ILE C) - (59 TYR N)  
 &rst iat=  901, 903, 918, 920, 
 r1= -77.0, r2= -47.0, r3= -37.0, r4= -7.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (58 ILE C) - (59 TYR N) - (59 TYR CA) - (59 TYR C)  
 &rst iat=  918, 920, 922, 939, 
 r1= -99.0, r2= -69.0, r3= -57.0, r4= -27.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (59 TYR N) - (59 TYR CA) - (59 TYR C) - (60 GLN N)  
 &rst iat=  920, 922, 939, 941, 
 r1= -78.0, r2= -48.0, r3= -34.0, r4= -4.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (59 TYR C) - (60 GLN N) - (60 GLN CA) - (60 GLN C)  
 &rst iat=  939, 941, 943, 956, 
 r1= -101.0, r2= -71.0, r3= -61.0, r4= -31.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (60 GLN N) - (60 GLN CA) - (60 GLN C) - (61 ALA N)  
 &rst iat=  941, 943, 956, 958, 
 r1= -81.0, r2= -51.0, r3= -35.0, r4= -5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (60 GLN C) - (61 ALA N) - (61 ALA CA) - (61 ALA C)  
 &rst iat=  956, 958, 960, 966, 
 r1= -112.0, r2= -82.0, r3= -64.0, r4= -34.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (61 ALA N) - (61 ALA CA) - (61 ALA C) - (62 TYR N)  
 &rst iat=  958, 960, 966, 968, 
 r1= -72.0, r2= -42.0, r3= -22.0, r4= 8.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (61 ALA C) - (62 TYR N) - (62 TYR CA) - (62 TYR C)  
 &rst iat=  966, 968, 970, 987, 
 r1= -142.0, r2= -112.0, r3= -90.0, r4= -60.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (62 TYR N) - (62 TYR CA) - (62 TYR C) - (63 LYS N)  
 &rst iat=  968, 970, 987, 989, 
 r1= -43.0, r2= -13.0, r3= 17.0, r4= 47.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (62 TYR C) - (63 LYS N) - (63 LYS CA) - (63 LYS C)  
 &rst iat=  987, 989, 991, 1009, 
 r1= 20.0, r2= 50.0, r3= 62.0, r4= 92.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (63 LYS N) - (63 LYS CA) - (63 LYS C) - (64 HID N)  
 &rst iat=  989, 991, 1009, 1011, 
 r1= 2.0, r2= 32.0, r3= 54.0, r4= 84.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (65 GLU C) - (66 THR N) - (66 THR CA) - (66 THR C)  
 &rst iat=  1041, 1043, 1045, 1055, 
 r1= -188.0, r2= -158.0, r3= -106.0, r4= -76.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (66 THR N) - (66 THR CA) - (66 THR C) - (67 VAL N)  
 &rst iat=  1043, 1045, 1055, 1057, 
 r1= 125.0, r2= 155.0, r3= 173.0, r4= 203.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (68 PRO C) - (69 ALA N) - (69 ALA CA) - (69 ALA C)  
 &rst iat=  1085, 1087, 1089, 1095, 
 r1= -155.0, r2= -125.0, r3= -93.0, r4= -63.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (69 ALA N) - (69 ALA CA) - (69 ALA C) - (70 ILE N)  
 &rst iat=  1087, 1089, 1095, 1097, 
 r1= 89.0, r2= 119.0, r3= 153.0, r4= 183.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (69 ALA C) - (70 ILE N) - (70 ILE CA) - (70 ILE C)  
 &rst iat=  1095, 1097, 1099, 1114, 
 r1= -169.0, r2= -139.0, r3= -89.0, r4= -59.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (70 ILE N) - (70 ILE CA) - (70 ILE C) - (71 PHE N)  
 &rst iat=  1097, 1099, 1114, 1116, 
 r1= 89.0, r2= 119.0, r3= 137.0, r4= 167.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (71 PHE C) - (72 ILE N) - (72 ILE CA) - (72 ILE C)  
 &rst iat=  1134, 1136, 1138, 1153, 
 r1= -182.0, r2= -152.0, r3= -124.0, r4= -94.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (72 ILE N) - (72 ILE CA) - (72 ILE C) - (73 ASN N)  
 &rst iat=  1136, 1138, 1153, 1155, 
 r1= 85.0, r2= 115.0, r3= 135.0, r4= 165.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (72 ILE C) - (73 ASN N) - (73 ASN CA) - (73 ASN C)  
 &rst iat=  1153, 1155, 1157, 1167, 
 r1= 17.0, r2= 47.0, r3= 55.0, r4= 85.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (73 ASN N) - (73 ASN CA) - (73 ASN C) - (74 GLY N)  
 &rst iat=  1155, 1157, 1167, 1169, 
 r1= 9.0, r2= 39.0, r3= 49.0, r4= 79.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (73 ASN C) - (74 GLY N) - (74 GLY CA) - (74 GLY C)  
 &rst iat=  1167, 1169, 1171, 1174, 
 r1= 40.0, r2= 70.0, r3= 84.0, r4= 114.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (74 GLY N) - (74 GLY CA) - (74 GLY C) - (75 ASN N)  
 &rst iat=  1169, 1171, 1174, 1176, 
 r1= -37.0, r2= -7.0, r3= 17.0, r4= 47.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (74 GLY C) - (75 ASN N) - (75 ASN CA) - (75 ASN C)  
 &rst iat=  1174, 1176, 1178, 1188, 
 r1= -157.0, r2= -127.0, r3= -85.0, r4= -55.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (75 ASN N) - (75 ASN CA) - (75 ASN C) - (76 PHE N)  
 &rst iat=  1176, 1178, 1188, 1190, 
 r1= 94.0, r2= 124.0, r3= 152.0, r4= 182.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (76 PHE C) - (77 ILE N) - (77 ILE CA) - (77 ILE C)  
 &rst iat=  1208, 1210, 1212, 1227, 
 r1= -159.0, r2= -129.0, r3= -95.0, r4= -65.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (77 ILE N) - (77 ILE CA) - (77 ILE C) - (78 GLY N)  
 &rst iat=  1210, 1212, 1227, 1229, 
 r1= 79.0, r2= 109.0, r3= 135.0, r4= 165.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (77 ILE C) - (78 GLY N) - (78 GLY CA) - (78 GLY C)  
 &rst iat=  1227, 1229, 1231, 1234, 
 r1= -190.0, r2= -160.0, r3= -114.0, r4= -84.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (78 GLY N) - (78 GLY CA) - (78 GLY C) - (79 GLY N)  
 &rst iat=  1229, 1231, 1234, 1236, 
 r1= 102.0, r2= 132.0, r3= 162.0, r4= 192.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (79 GLY C) - (80 CYS N) - (80 CYS CA) - (80 CYS C)  
 &rst iat=  1241, 1243, 1245, 1252, 
 r1= -94.0, r2= -64.0, r3= -56.0, r4= -26.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (80 CYS N) - (80 CYS CA) - (80 CYS C) - (81 SER N)  
 &rst iat=  1243, 1245, 1252, 1254, 
 r1= -74.0, r2= -44.0, r3= -34.0, r4= -4.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (80 CYS C) - (81 SER N) - (81 SER CA) - (81 SER C)  
 &rst iat=  1252, 1254, 1256, 1263, 
 r1= -97.0, r2= -67.0, r3= -61.0, r4= -31.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (81 SER N) - (81 SER CA) - (81 SER C) - (82 ASP N)  
 &rst iat=  1254, 1256, 1263, 1265, 
 r1= -76.0, r2= -46.0, r3= -36.0, r4= -6.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (81 SER C) - (82 ASP N) - (82 ASP CA) - (82 ASP C)  
 &rst iat=  1263, 1265, 1267, 1275, 
 r1= -99.0, r2= -69.0, r3= -61.0, r4= -31.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (82 ASP N) - (82 ASP CA) - (82 ASP C) - (83 LEU N)  
 &rst iat=  1265, 1267, 1275, 1277, 
 r1= -75.0, r2= -45.0, r3= -39.0, r4= -9.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (82 ASP C) - (83 LEU N) - (83 LEU CA) - (83 LEU C)  
 &rst iat=  1275, 1277, 1279, 1294, 
 r1= -99.0, r2= -69.0, r3= -57.0, r4= -27.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (83 LEU N) - (83 LEU CA) - (83 LEU C) - (84 GLU N)  
 &rst iat=  1277, 1279, 1294, 1296, 
 r1= -77.0, r2= -47.0, r3= -41.0, r4= -11.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (83 LEU C) - (84 GLU N) - (84 GLU CA) - (84 GLU C)  
 &rst iat=  1294, 1296, 1298, 1309, 
 r1= -95.0, r2= -65.0, r3= -57.0, r4= -27.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (84 GLU N) - (84 GLU CA) - (84 GLU C) - (85 ALA N)  
 &rst iat=  1296, 1298, 1309, 1311, 
 r1= -76.0, r2= -46.0, r3= -34.0, r4= -4.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (84 GLU C) - (85 ALA N) - (85 ALA CA) - (85 ALA C)  
 &rst iat=  1309, 1311, 1313, 1319, 
 r1= -101.0, r2= -71.0, r3= -57.0, r4= -27.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (85 ALA N) - (85 ALA CA) - (85 ALA C) - (86 LEU N)  
 &rst iat=  1311, 1313, 1319, 1321, 
 r1= -80.0, r2= -50.0, r3= -38.0, r4= -8.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (85 ALA C) - (86 LEU N) - (86 LEU CA) - (86 LEU C)  
 &rst iat=  1319, 1321, 1323, 1338, 
 r1= -100.0, r2= -70.0, r3= -60.0, r4= -30.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (86 LEU N) - (86 LEU CA) - (86 LEU C) - (87 ASP N)  
 &rst iat=  1321, 1323, 1338, 1340, 
 r1= -76.0, r2= -46.0, r3= -38.0, r4= -8.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (86 LEU C) - (87 ASP N) - (87 ASP CA) - (87 ASP C)  
 &rst iat=  1338, 1340, 1342, 1350, 
 r1= -97.0, r2= -67.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (87 ASP N) - (87 ASP CA) - (87 ASP C) - (88 LYS N)  
 &rst iat=  1340, 1342, 1350, 1352, 
 r1= -82.0, r2= -52.0, r3= -34.0, r4= -4.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (87 ASP C) - (88 LYS N) - (88 LYS CA) - (88 LYS C)  
 &rst iat=  1350, 1352, 1354, 1372, 
 r1= -100.0, r2= -70.0, r3= -60.0, r4= -30.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (88 LYS N) - (88 LYS CA) - (88 LYS C) - (89 GLU N)  
 &rst iat=  1352, 1354, 1372, 1374, 
 r1= -74.0, r2= -44.0, r3= -20.0, r4= 10.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (88 LYS C) - (89 GLU N) - (89 GLU CA) - (89 GLU C)  
 &rst iat=  1372, 1374, 1376, 1387, 
 r1= -126.0, r2= -96.0, r3= -80.0, r4= -50.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (89 GLU N) - (89 GLU CA) - (89 GLU C) - (90 GLY N)  
 &rst iat=  1374, 1376, 1387, 1389, 
 r1= -36.0, r2= -6.0, r3= 8.0, r4= 38.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (90 GLY C) - (91 LYS N) - (91 LYS CA) - (91 LYS C)  
 &rst iat=  1394, 1396, 1398, 1416, 
 r1= -155.0, r2= -125.0, r3= -91.0, r4= -61.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (91 LYS N) - (91 LYS CA) - (91 LYS C) - (92 LEU N)  
 &rst iat=  1396, 1398, 1416, 1418, 
 r1= -37.0, r2= -7.0, r3= 23.0, r4= 53.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (92 LEU C) - (93 ASP N) - (93 ASP CA) - (93 ASP C)  
 &rst iat=  1435, 1437, 1439, 1447, 
 r1= -96.0, r2= -66.0, r3= -54.0, r4= -24.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (93 ASP N) - (93 ASP CA) - (93 ASP C) - (94 GLY N)  
 &rst iat=  1437, 1439, 1447, 1449, 
 r1= -78.0, r2= -48.0, r3= -30.0, r4= 0.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (93 ASP C) - (94 GLY N) - (94 GLY CA) - (94 GLY C)  
 &rst iat=  1447, 1449, 1451, 1454, 
 r1= -102.0, r2= -72.0, r3= -58.0, r4= -28.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (94 GLY N) - (94 GLY CA) - (94 GLY C) - (95 LEU N)  
 &rst iat=  1449, 1451, 1454, 1456, 
 r1= -73.0, r2= -43.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (94 GLY C) - (95 LEU N) - (95 LEU CA) - (95 LEU C)  
 &rst iat=  1454, 1456, 1458, 1473, 
 r1= -109.0, r2= -79.0, r3= -59.0, r4= -29.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (95 LEU N) - (95 LEU CA) - (95 LEU C) - (96 LEU N)  
 &rst iat=  1456, 1458, 1473, 1475, 
 r1= -75.0, r2= -45.0, r3= -29.0, r4= 1.0,
 rk2= 32.00, rk3= 32.00, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  16.744  32.857  44.055
    2    H2   GLY   1           H2       GLY   1  17.633  33.895  43.123
    3    H3   GLY   1           H3       GLY   1  18.165  32.350  43.397
    4    HA2  GLY   1           HA2      GLY   1  16.297  31.435  42.219
    5    HA3  GLY   1           HA3      GLY   1  15.750  33.097  41.892
    6    H    ALA   2           H        ALA   2  17.082  30.611  40.364
    7    HA   ALA   2           HA       ALA   2  19.235  32.117  38.977
    8    HB1  ALA   2           HB1      ALA   2  18.651  29.137  38.945
    9    HB2  ALA   2           HB2      ALA   2  20.100  29.977  38.327
   10    HB3  ALA   2           HB3      ALA   2  19.777  29.944  40.062
   11    H    MET   3           H        MET   3  19.361  32.185  36.677
   12    HA   MET   3           HA       MET   3  16.925  32.838  35.476
   13    HB2  MET   3           HB2      MET   3  19.198  33.687  34.898
   14    HB3  MET   3           HB3      MET   3  19.486  32.195  33.988
   15    HG2  MET   3           HG2      MET   3  17.449  32.722  32.605
   16    HG3  MET   3           HG3      MET   3  17.268  34.231  33.500
   17    HE1  MET   3           HE1      MET   3  20.467  36.245  32.292
   18    HE2  MET   3           HE2      MET   3  19.161  36.153  33.495
   19    HE3  MET   3           HE3      MET   3  20.575  35.082  33.626
   20    HA   PRO   4           HA       PRO   4  15.536  28.756  34.397
   21    HB2  PRO   4           HB2      PRO   4  13.033  29.235  33.476
   22    HB3  PRO   4           HB3      PRO   4  13.537  29.619  35.145
   23    HG2  PRO   4           HG2      PRO   4  13.503  31.504  32.762
   24    HG3  PRO   4           HG3      PRO   4  12.721  31.740  34.361
   25    HD2  PRO   4           HD2      PRO   4  15.179  32.771  33.806
   26    HD3  PRO   4           HD3      PRO   4  14.789  32.113  35.423
   27    H    SER   5           H        SER   5  17.416  29.577  32.581
   28    HA   SER   5           HA       SER   5  16.690  27.784  30.388
   29    HB2  SER   5           HB2      SER   5  17.930  29.089  28.699
   30    HB3  SER   5           HB3      SER   5  16.543  30.003  29.195
   31    HG   SER   5           HG       SER   5  18.033  31.483  29.580
   32    H    ILE   6           H        ILE   6  19.118  27.757  29.106
   33    HA   ILE   6           HA       ILE   6  20.791  26.178  30.748
   34    HB   ILE   6           HB       ILE   6  22.518  26.629  28.965
   35   HG12  ILE   6          HG12      ILE   6  20.298  27.807  27.350
   36   HG13  ILE   6          HG13      ILE   6  21.416  28.856  28.233
   37   HG21  ILE   6          HG21      ILE   6  21.320  24.623  28.970
   38   HG22  ILE   6          HG22      ILE   6  19.871  25.400  28.339
   39   HG23  ILE   6          HG23      ILE   6  21.312  25.223  27.308
   40   HD11  ILE   6          HD11      ILE   6  22.107  28.659  25.942
   41   HD12  ILE   6          HD12      ILE   6  23.301  27.837  26.961
   42   HD13  ILE   6          HD13      ILE   6  22.116  26.888  26.019
   43    H    ALA   7           H        ALA   7  20.591  29.672  30.718
   44    HA   ALA   7           HA       ALA   7  23.320  30.345  31.169
   45    HB1  ALA   7           HB1      ALA   7  21.592  31.966  30.540
   46    HB2  ALA   7           HB2      ALA   7  20.729  31.678  32.064
   47    HB3  ALA   7           HB3      ALA   7  22.338  32.430  32.081
   48    H    SER   8           H        SER   8  20.756  29.166  33.373
   49    HA   SER   8           HA       SER   8  22.440  29.465  35.775
   50    HB2  SER   8           HB2      SER   8  20.608  28.260  36.876
   51    HB3  SER   8           HB3      SER   8  20.081  29.688  35.933
   52    HG   SER   8           HG       SER   8  18.971  28.533  34.696
   53    H    MET   9           H        MET   9  21.627  26.871  33.519
   54    HA   MET   9           HA       MET   9  22.838  24.685  34.862
   55    HB2  MET   9           HB2      MET   9  22.541  25.085  31.854
   56    HB3  MET   9           HB3      MET   9  22.838  23.573  32.699
   57    HG2  MET   9           HG2      MET   9  20.694  23.664  33.814
   58    HG3  MET   9           HG3      MET   9  20.370  25.279  33.220
   59    HE1  MET   9           HE1      MET   9  20.559  21.793  30.159
   60    HE2  MET   9           HE2      MET   9  21.972  22.772  30.595
   61    HE3  MET   9           HE3      MET   9  21.252  21.655  31.790
   62    H    ILE  10           H        ILE  10  24.356  27.234  32.883
   63    HA   ILE  10           HA       ILE  10  26.884  26.035  32.469
   64    HB   ILE  10           HB       ILE  10  26.568  28.968  33.189
   65   HG12  ILE  10          HG12      ILE  10  24.850  28.643  31.616
   66   HG13  ILE  10          HG13      ILE  10  26.150  29.522  30.865
   67   HG21  ILE  10          HG21      ILE  10  28.481  27.457  31.375
   68   HG22  ILE  10          HG22      ILE  10  28.366  29.226  31.461
   69   HG23  ILE  10          HG23      ILE  10  28.875  28.305  32.877
   70   HD11  ILE  10          HD11      ILE  10  25.596  26.549  30.434
   71   HD12  ILE  10          HD12      ILE  10  25.202  27.868  29.315
   72   HD13  ILE  10          HD13      ILE  10  26.900  27.490  29.670
   73    H    LYS  11           H        LYS  11  25.521  27.260  35.465
   74    HA   LYS  11           HA       LYS  11  28.152  27.530  36.785
   75    HB2  LYS  11           HB2      LYS  11  25.298  28.008  37.725
   76    HB3  LYS  11           HB3      LYS  11  26.685  28.112  38.789
   77    HG2  LYS  11           HG2      LYS  11  26.219  30.288  38.228
   78    HG3  LYS  11           HG3      LYS  11  27.643  29.895  37.264
   79    HD2  LYS  11           HD2      LYS  11  26.323  29.771  35.245
   80    HD3  LYS  11           HD3      LYS  11  24.800  29.780  36.166
   81    HE2  LYS  11           HE2      LYS  11  25.294  32.046  36.978
   82    HE3  LYS  11           HE3      LYS  11  26.813  32.068  36.080
   83    HZ1  LYS  11           HZ1      LYS  11  25.554  31.924  34.024
   84    HZ2  LYS  11           HZ2      LYS  11  24.119  31.827  34.827
   85    HZ3  LYS  11           HZ3      LYS  11  25.003  33.196  34.878
   86    H    GLY  12           H        GLY  12  26.538  24.788  36.030
   87    HA2  GLY  12           HA2      GLY  12  26.603  23.373  38.554
   88    HA3  GLY  12           HA3      GLY  12  26.383  22.681  36.953
   89    H    ASN  13           H        ASN  13  29.025  23.963  36.097
   90    HA   ASN  13           HA       ASN  13  31.036  22.193  37.413
   91    HB2  ASN  13           HB2      ASN  13  30.118  22.210  34.507
   92    HB3  ASN  13           HB3      ASN  13  31.732  21.685  34.928
   93   HD21  ASN  13          HD21      ASN  13  31.979  19.837  36.402
   94   HD22  ASN  13          HD22      ASN  13  30.664  18.638  36.394
   95    H    LYS  14           H        LYS  14  33.225  22.632  36.777
   96    HA   LYS  14           HA       LYS  14  33.860  25.458  36.788
   97    HB2  LYS  14           HB2      LYS  14  35.198  23.728  37.878
   98    HB3  LYS  14           HB3      LYS  14  35.661  23.038  36.315
   99    HG2  LYS  14           HG2      LYS  14  36.832  25.014  35.646
  100    HG3  LYS  14           HG3      LYS  14  36.180  25.964  36.991
  101    HD2  LYS  14           HD2      LYS  14  38.352  23.841  36.993
  102    HD3  LYS  14           HD3      LYS  14  38.477  25.553  37.431
  103    HE2  LYS  14           HE2      LYS  14  36.979  25.087  39.391
  104    HE3  LYS  14           HE3      LYS  14  37.078  23.360  38.979
  105    HZ1  LYS  14           HZ1      LYS  14  38.693  23.674  40.590
  106    HZ2  LYS  14           HZ2      LYS  14  39.576  23.731  39.214
  107    HZ3  LYS  14           HZ3      LYS  14  39.201  25.132  40.017
  108    H    VAL  15           H        VAL  15  34.039  22.986  34.205
  109    HA   VAL  15           HA       VAL  15  33.942  25.216  32.230
  110    HB   VAL  15           HB       VAL  15  35.423  22.628  31.694
  111   HG11  VAL  15          HG11      VAL  15  34.568  23.769  29.691
  112   HG12  VAL  15          HG12      VAL  15  35.345  25.274  30.206
  113   HG13  VAL  15          HG13      VAL  15  36.328  23.858  29.788
  114   HG21  VAL  15          HG21      VAL  15  36.735  23.715  33.376
  115   HG22  VAL  15          HG22      VAL  15  37.481  24.153  31.836
  116   HG23  VAL  15          HG23      VAL  15  36.451  25.318  32.674
  117    H    VAL  16           H        VAL  16  32.373  25.156  30.788
  118    HA   VAL  16           HA       VAL  16  30.739  22.671  30.429
  119    HB   VAL  16           HB       VAL  16  29.694  25.470  30.885
  120   HG11  VAL  16          HG11      VAL  16  28.325  24.445  29.126
  121   HG12  VAL  16          HG12      VAL  16  28.195  22.941  30.068
  122   HG13  VAL  16          HG13      VAL  16  27.434  24.438  30.644
  123   HG21  VAL  16          HG21      VAL  16  28.479  24.344  32.756
  124   HG22  VAL  16          HG22      VAL  16  29.334  22.838  32.380
  125   HG23  VAL  16          HG23      VAL  16  30.229  24.266  32.958
  126    H    VAL  17           H        VAL  17  30.232  22.189  28.333
  127    HA   VAL  17           HA       VAL  17  30.688  24.227  26.178
  128    HB   VAL  17           HB       VAL  17  31.700  21.349  26.296
  129   HG11  VAL  17          HG11      VAL  17  31.615  23.205  23.869
  130   HG12  VAL  17          HG12      VAL  17  32.551  21.699  23.983
  131   HG13  VAL  17          HG13      VAL  17  30.800  21.629  24.028
  132   HG21  VAL  17          HG21      VAL  17  33.193  23.010  27.290
  133   HG22  VAL  17          HG22      VAL  17  33.850  22.474  25.739
  134   HG23  VAL  17          HG23      VAL  17  33.042  24.047  25.856
  135    H    PHE  18           H        PHE  18  29.346  24.068  24.335
  136    HA   PHE  18           HA       PHE  18  27.204  21.967  24.456
  137    HB2  PHE  18           HB2      PHE  18  26.946  24.708  23.182
  138    HB3  PHE  18           HB3      PHE  18  25.781  23.411  23.097
  139    HD1  PHE  18           HD2      PHE  18  24.394  22.813  24.994
  140    HD2  PHE  18           HD1      PHE  18  27.287  25.971  25.290
  141    HE1  PHE  18           HE2      PHE  18  23.249  23.651  27.040
  142    HE2  PHE  18           HE1      PHE  18  26.142  26.832  27.323
  143    HZ   PHE  18           HZ       PHE  18  24.101  25.682  28.175
  144    H    SER  19           H        SER  19  27.158  20.576  22.792
  145    HA   SER  19           HA       SER  19  28.637  21.243  20.279
  146    HB2  SER  19           HB2      SER  19  28.807  18.641  21.831
  147    HB3  SER  19           HB3      SER  19  29.492  18.907  20.207
  148    HG   SER  19           HG       SER  19  31.008  19.126  21.870
  149    H    TRP  20           H        TRP  20  28.138  20.018  18.442
  150    HA   TRP  20           HA       TRP  20  25.588  18.462  18.430
  151    HB2  TRP  20           HB2      TRP  20  26.548  20.633  16.586
  152    HB3  TRP  20           HB3      TRP  20  25.864  19.206  15.850
  153    HD1  TRP  20           HD1      TRP  20  24.048  20.140  19.032
  154    HE1  TRP  20           HE1      TRP  20  21.682  20.898  18.374
  155    HE3  TRP  20           HE3      TRP  20  24.788  20.902  14.019
  156    HZ2  TRP  20           HZ2      TRP  20  20.334  21.895  16.029
  157    HZ3  TRP  20           HZ3      TRP  20  22.952  21.820  12.612
  158    HH2  TRP  20           HH2      TRP  20  20.736  22.313  13.602
  159    H    VAL  21           H        VAL  21  25.924  16.407  17.921
  160    HA   VAL  21           HA       VAL  21  28.566  15.519  17.026
  161    HB   VAL  21           HB       VAL  21  27.429  13.196  17.373
  162   HG11  VAL  21          HG11      VAL  21  28.158  15.068  19.659
  163   HG12  VAL  21          HG12      VAL  21  28.091  13.293  19.752
  164   HG13  VAL  21          HG13      VAL  21  29.278  14.081  18.702
  165   HG21  VAL  21          HG21      VAL  21  25.704  13.120  19.048
  166   HG22  VAL  21          HG22      VAL  21  25.699  14.873  19.255
  167   HG23  VAL  21          HG23      VAL  21  25.097  14.145  17.746
  168    H    THR  22           H        THR  22  27.673  14.567  13.683
  169    HA   THR  22           HA       THR  22  29.876  15.128  15.619
  170    HB   THR  22           HB       THR  22  29.992  14.050  12.807
  171    HG1  THR  22           HG1      THR  22  30.529  12.120  13.918
  172   HG21  THR  22          HG21      THR  22  32.119  15.134  13.461
  173   HG22  THR  22          HG22      THR  22  32.290  13.382  13.402
  174   HG23  THR  22          HG23      THR  22  32.132  14.196  14.971
  175    H    CYS  23           H        CYS  23  31.186  16.882  15.440
  176    HA   CYS  23           HA       CYS  23  30.884  18.716  13.115
  177    HB2  CYS  23           HB2      CYS  23  29.378  19.583  14.802
  178    HB3  CYS  23           HB3      CYS  23  30.635  19.489  16.038
  179    HG   CYS  23           HG       CYS  23  30.470  21.340  13.292
  180    HA   PRO  24           HA       PRO  24  35.252  18.129  13.417
  181    HB2  PRO  24           HB2      PRO  24  36.189  19.865  11.507
  182    HB3  PRO  24           HB3      PRO  24  35.284  18.373  11.125
  183    HG2  PRO  24           HG2      PRO  24  34.182  21.193  11.382
  184    HG3  PRO  24           HG3      PRO  24  33.941  20.028  10.035
  185    HD2  PRO  24           HD2      PRO  24  32.107  20.288  11.998
  186    HD3  PRO  24           HD3      PRO  24  32.507  18.671  11.347
  187    H    TYR  25           H        TYR  25  33.844  21.070  14.411
  188    HA   TYR  25           HA       TYR  25  36.331  22.104  15.643
  189    HB2  TYR  25           HB2      TYR  25  33.451  23.020  15.883
  190    HB3  TYR  25           HB3      TYR  25  34.891  23.966  16.335
  191    HD1  TYR  25           HD2      TYR  25  36.671  23.451  13.964
  192    HD2  TYR  25           HD1      TYR  25  32.458  24.380  14.176
  193    HE1  TYR  25           HE2      TYR  25  36.746  24.354  11.647
  194    HE2  TYR  25           HE1      TYR  25  32.546  25.290  11.859
  195    HH   TYR  25           HH       TYR  25  35.515  25.167   9.873
  196    H    CYS  26           H        CYS  26  33.261  20.710  16.700
  197    HA   CYS  26           HA       CYS  26  33.523  21.094  19.487
  198    HB2  CYS  26           HB2      CYS  26  32.137  19.204  17.613
  199    HB3  CYS  26           HB3      CYS  26  32.067  18.876  19.318
  200    HG   CYS  26           HG       CYS  26  30.877  21.001  20.035
  201    H    VAL  27           H        VAL  27  34.474  18.325  17.493
  202    HA   VAL  27           HA       VAL  27  35.644  16.531  19.203
  203    HB   VAL  27           HB       VAL  27  35.476  16.347  16.960
  204   HG11  VAL  27          HG11      VAL  27  37.583  18.074  16.047
  205   HG12  VAL  27          HG12      VAL  27  36.389  17.136  15.157
  206   HG13  VAL  27          HG13      VAL  27  35.828  18.479  16.156
  207   HG21  VAL  27          HG21      VAL  27  38.468  16.156  17.530
  208   HG22  VAL  27          HG22      VAL  27  37.273  14.937  18.035
  209   HG23  VAL  27          HG23      VAL  27  37.586  15.204  16.313
  210    H    ARG  28           H        ARG  28  37.154  18.968  17.567
  211    HA   ARG  28           HA       ARG  28  39.768  18.958  18.672
  212    HB2  ARG  28           HB2      ARG  28  38.760  21.742  18.056
  213    HB3  ARG  28           HB3      ARG  28  40.358  21.034  17.833
  214    HG2  ARG  28           HG2      ARG  28  39.174  19.509  16.086
  215    HG3  ARG  28           HG3      ARG  28  37.867  20.702  16.209
  216    HD2  ARG  28           HD2      ARG  28  38.903  21.795  14.552
  217    HD3  ARG  28           HD3      ARG  28  40.038  22.337  15.788
  218    HE   ARG  28           HE       ARG  28  41.667  20.959  14.863
  219   HH11  ARG  28          HH22      ARG  28  38.558  19.733  13.709
  220   HH12  ARG  28          HH21      ARG  28  39.298  18.435  12.842
  221   HH21  ARG  28          HH12      ARG  28  42.551  19.443  13.509
  222   HH22  ARG  28          HH11      ARG  28  41.520  18.420  12.540
  223    H    ALA  29           H        ALA  29  37.164  21.104  19.833
  224    HA   ALA  29           HA       ALA  29  38.652  22.077  22.093
  225    HB1  ALA  29           HB1      ALA  29  35.642  22.002  21.616
  226    HB2  ALA  29           HB2      ALA  29  36.493  22.974  22.841
  227    HB3  ALA  29           HB3      ALA  29  36.754  23.298  21.113
  228    H    GLU  30           H        GLU  30  36.052  19.523  21.948
  229    HA   GLU  30           HA       GLU  30  36.168  18.861  24.738
  230    HB2  GLU  30           HB2      GLU  30  35.487  17.130  22.319
  231    HB3  GLU  30           HB3      GLU  30  35.162  16.707  24.002
  232    HG2  GLU  30           HG2      GLU  30  33.591  18.603  24.212
  233    HG3  GLU  30           HG3      GLU  30  33.904  19.090  22.537
  234    H    LYS  31           H        LYS  31  38.195  17.713  22.098
  235    HA   LYS  31           HA       LYS  31  39.515  15.683  23.632
  236    HB2  LYS  31           HB2      LYS  31  39.613  15.657  21.196
  237    HB3  LYS  31           HB3      LYS  31  40.188  17.319  21.165
  238    HG2  LYS  31           HG2      LYS  31  42.358  16.435  22.311
  239    HG3  LYS  31           HG3      LYS  31  41.736  14.833  21.928
  240    HD2  LYS  31           HD2      LYS  31  43.236  15.541  20.193
  241    HD3  LYS  31           HD3      LYS  31  41.587  15.560  19.523
  242    HE2  LYS  31           HE2      LYS  31  41.467  17.902  19.489
  243    HE3  LYS  31           HE3      LYS  31  42.714  18.109  20.736
  244    HZ1  LYS  31           HZ1      LYS  31  43.125  17.378  17.908
  245    HZ2  LYS  31           HZ2      LYS  31  43.693  18.706  18.714
  246    HZ3  LYS  31           HZ3      LYS  31  44.317  17.215  19.016
  247    H    LEU  32           H        LEU  32  40.438  18.986  22.773
  248    HA   LEU  32           HA       LEU  32  42.933  19.129  24.107
  249    HB2  LEU  32           HB2      LEU  32  42.218  20.571  22.289
  250    HB3  LEU  32           HB3      LEU  32  40.844  21.121  23.259
  251    HG   LEU  32           HG       LEU  32  42.215  22.450  24.685
  252   HD11  LEU  32          HD11      LEU  32  44.667  22.629  24.372
  253   HD12  LEU  32          HD12      LEU  32  44.169  21.022  24.919
  254   HD13  LEU  32          HD13      LEU  32  44.614  21.275  23.217
  255   HD21  LEU  32          HD21      LEU  32  43.194  22.767  21.819
  256   HD22  LEU  32          HD22      LEU  32  41.630  23.342  22.418
  257   HD23  LEU  32          HD23      LEU  32  43.124  24.034  23.083
  258    H    LEU  33           H        LEU  33  39.641  20.013  25.189
  259    HA   LEU  33           HA       LEU  33  40.437  21.249  27.606
  260    HB2  LEU  33           HB2      LEU  33  37.859  19.850  26.726
  261    HB3  LEU  33           HB3      LEU  33  37.956  20.720  28.246
  262    HG   LEU  33           HG       LEU  33  38.533  22.024  25.563
  263   HD11  LEU  33          HD11      LEU  33  36.177  21.299  25.670
  264   HD12  LEU  33          HD12      LEU  33  35.978  22.358  27.095
  265   HD13  LEU  33          HD13      LEU  33  36.422  23.042  25.530
  266   HD21  LEU  33          HD21      LEU  33  38.135  24.140  26.804
  267   HD22  LEU  33          HD22      LEU  33  38.031  23.205  28.304
  268   HD23  LEU  33          HD23      LEU  33  39.554  23.259  27.375
  269    H    HIS  34           H        HIS  34  39.559  17.827  26.982
  270    HA   HIS  34           HA       HIS  34  40.191  16.912  29.654
  271    HB2  HIS  34           HB2      HIS  34  39.786  15.583  26.968
  272    HB3  HIS  34           HB3      HIS  34  40.465  14.682  28.317
  273    HD1  HIS  34           HD1      HIS  34  38.860  14.198  30.428
  274    HD2  HIS  34           HD2      HIS  34  37.127  16.125  27.115
  275    HE1  HIS  34           HE1      HIS  34  36.341  14.062  30.761
  276    H    ALA  35           H        ALA  35  42.143  17.358  26.654
  277    HA   ALA  35           HA       ALA  35  44.377  15.849  27.615
  278    HB1  ALA  35           HB1      ALA  35  45.529  16.819  25.674
  279    HB2  ALA  35           HB2      ALA  35  43.895  16.317  25.231
  280    HB3  ALA  35           HB3      ALA  35  44.265  18.040  25.500
  281    H    ARG  36           H        ARG  36  43.504  19.207  28.059
  282    HA   ARG  36           HA       ARG  36  46.062  19.844  29.486
  283    HB2  ARG  36           HB2      ARG  36  43.962  21.610  28.169
  284    HB3  ARG  36           HB3      ARG  36  45.363  22.173  29.067
  285    HG2  ARG  36           HG2      ARG  36  45.551  20.458  26.577
  286    HG3  ARG  36           HG3      ARG  36  45.600  22.226  26.570
  287    HD2  ARG  36           HD2      ARG  36  47.681  22.259  27.796
  288    HD3  ARG  36           HD3      ARG  36  47.571  20.520  28.118
  289    HE   ARG  36           HE       ARG  36  48.352  20.038  25.996
  290   HH11  ARG  36          HH12      ARG  36  47.561  23.518  25.802
  291   HH12  ARG  36          HH11      ARG  36  47.724  23.388  24.039
  292   HH21  ARG  36          HH22      ARG  36  48.814  20.198  23.994
  293   HH22  ARG  36          HH21      ARG  36  48.767  21.756  23.141
  294    H    THR  37           H        THR  37  43.497  18.663  30.492
  295    HA   THR  37           HA       THR  37  42.437  18.389  32.466
  296    HB   THR  37           HB       THR  37  43.949  20.291  34.070
  297    HG1  THR  37           HG1      THR  37  45.578  18.157  33.717
  298   HG21  THR  37          HG21      THR  37  44.236  18.350  35.553
  299   HG22  THR  37          HG22      THR  37  43.677  17.245  34.272
  300   HG23  THR  37          HG23      THR  37  42.556  18.414  34.990
  301    H    LYS  38           H        LYS  38  41.435  20.511  30.772
  302    HA   LYS  38           HA       LYS  38  40.256  22.487  32.675
  303    HB2  LYS  38           HB2      LYS  38  39.823  21.817  29.744
  304    HB3  LYS  38           HB3      LYS  38  38.677  22.727  30.685
  305    HG2  LYS  38           HG2      LYS  38  40.031  24.284  29.455
  306    HG3  LYS  38           HG3      LYS  38  40.446  24.467  31.134
  307    HD2  LYS  38           HD2      LYS  38  42.210  22.568  29.621
  308    HD3  LYS  38           HD3      LYS  38  42.214  24.218  29.011
  309    HE2  LYS  38           HE2      LYS  38  42.641  25.029  31.381
  310    HE3  LYS  38           HE3      LYS  38  42.836  23.323  31.835
  311    HZ1  LYS  38           HZ1      LYS  38  44.757  23.167  30.500
  312    HZ2  LYS  38           HZ2      LYS  38  44.586  24.631  29.778
  313    HZ3  LYS  38           HZ3      LYS  38  44.975  24.493  31.367
  314    H    ASP  39           H        ASP  39  39.128  21.504  34.187
  315    HA   ASP  39           HA       ASP  39  37.896  19.117  33.810
  316    HB2  ASP  39           HB2      ASP  39  38.558  20.176  36.032
  317    HB3  ASP  39           HB3      ASP  39  37.022  21.012  36.007
  318    H    ILE  40           H        ILE  40  36.481  18.688  32.381
  319    HA   ILE  40           HA       ILE  40  34.450  20.714  31.710
  320    HB   ILE  40           HB       ILE  40  36.425  20.447  30.319
  321   HG12  ILE  40          HG12      ILE  40  33.740  20.769  29.440
  322   HG13  ILE  40          HG13      ILE  40  35.224  21.474  28.872
  323   HG21  ILE  40          HG21      ILE  40  35.355  17.722  29.503
  324   HG22  ILE  40          HG22      ILE  40  36.791  18.544  28.862
  325   HG23  ILE  40          HG23      ILE  40  36.763  18.008  30.531
  326   HD11  ILE  40          HD11      ILE  40  33.953  20.415  27.067
  327   HD12  ILE  40          HD12      ILE  40  35.533  19.649  27.258
  328   HD13  ILE  40          HD13      ILE  40  34.061  18.846  27.875
  329    H    THR  41           H        THR  41  32.470  20.450  31.234
  330    HA   THR  41           HA       THR  41  31.193  17.755  30.898
  331    HB   THR  41           HB       THR  41  30.333  20.235  32.415
  332    HG1  THR  41           HG1      THR  41  29.854  18.635  33.950
  333   HG21  THR  41          HG21      THR  41  28.508  17.998  31.461
  334   HG22  THR  41          HG22      THR  41  28.387  19.746  31.096
  335   HG23  THR  41          HG23      THR  41  28.117  19.175  32.740
  336    H    VAL  42           H        VAL  42  30.154  17.564  28.885
  337    HA   VAL  42           HA       VAL  42  29.429  20.077  27.492
  338    HB   VAL  42           HB       VAL  42  31.064  19.424  26.199
  339   HG11  VAL  42          HG11      VAL  42  30.622  16.542  26.686
  340   HG12  VAL  42          HG12      VAL  42  31.758  17.234  25.489
  341   HG13  VAL  42          HG13      VAL  42  31.962  17.646  27.180
  342   HG21  VAL  42          HG21      VAL  42  30.304  18.483  24.103
  343   HG22  VAL  42          HG22      VAL  42  28.859  17.832  24.890
  344   HG23  VAL  42          HG23      VAL  42  29.097  19.593  24.759
  345    H    HIS  43           H        HIS  43  27.490  20.378  26.705
  346    HA   HIS  43           HA       HIS  43  25.462  18.220  27.032
  347    HB2  HIS  43           HB2      HIS  43  25.109  20.484  28.140
  348    HB3  HIS  43           HB3      HIS  43  24.977  21.164  26.544
  349    HD1  HIS  43           HD1      HIS  43  22.587  20.973  25.458
  350    HD2  HIS  43           HD2      HIS  43  23.242  18.361  28.680
  351    HE1  HIS  43           HE1      HIS  43  20.380  19.766  25.860
  352    H    TYR  44           H        TYR  44  24.637  17.220  25.320
  353    HA   TYR  44           HA       TYR  44  25.343  18.178  22.614
  354    HB2  TYR  44           HB2      TYR  44  24.277  15.557  23.665
  355    HB3  TYR  44           HB3      TYR  44  24.565  15.872  21.958
  356    HD1  TYR  44           HD1      TYR  44  26.990  16.752  21.322
  357    HD2  TYR  44           HD2      TYR  44  26.046  14.808  25.058
  358    HE1  TYR  44           HE1      TYR  44  29.428  16.379  21.751
  359    HE2  TYR  44           HE2      TYR  44  28.472  14.472  25.485
  360    HH   TYR  44           HH       TYR  44  31.025  15.620  23.265
  361    H    VAL  45           H        VAL  45  24.011  19.916  22.283
  362    HA   VAL  45           HA       VAL  45  21.106  19.674  22.563
  363    HB   VAL  45           HB       VAL  45  20.939  21.886  21.500
  364   HG11  VAL  45          HG11      VAL  45  21.128  21.663  23.958
  365   HG12  VAL  45          HG12      VAL  45  22.915  21.737  23.803
  366   HG13  VAL  45          HG13      VAL  45  21.900  23.135  23.389
  367   HG21  VAL  45          HG21      VAL  45  24.000  21.822  21.494
  368   HG22  VAL  45          HG22      VAL  45  22.926  21.972  20.085
  369   HG23  VAL  45          HG23      VAL  45  22.996  23.265  21.268
  370    H    ASP  46           H        ASP  46  22.944  18.094  20.492
  371    HA   ASP  46           HA       ASP  46  20.906  17.982  18.326
  372    HB2  ASP  46           HB2      ASP  46  23.349  17.756  17.782
  373    HB3  ASP  46           HB3      ASP  46  23.392  16.279  18.744
  374    H    LYS  47           H        LYS  47  21.901  16.284  21.296
  375    HA   LYS  47           HA       LYS  47  20.209  13.925  20.858
  376    HB2  LYS  47           HB2      LYS  47  21.682  15.009  23.307
  377    HB3  LYS  47           HB3      LYS  47  20.756  13.530  23.315
  378    HG2  LYS  47           HG2      LYS  47  22.974  13.840  21.272
  379    HG3  LYS  47           HG3      LYS  47  23.373  13.516  22.961
  380    HD2  LYS  47           HD2      LYS  47  22.073  11.511  23.015
  381    HD3  LYS  47           HD3      LYS  47  21.462  11.769  21.371
  382    HE2  LYS  47           HE2      LYS  47  24.449  11.691  21.852
  383    HE3  LYS  47           HE3      LYS  47  23.560  10.163  21.902
  384    HZ1  LYS  47           HZ1      LYS  47  24.462  10.867  19.665
  385    HZ2  LYS  47           HZ2      LYS  47  22.883  10.409  19.699
  386    HZ3  LYS  47           HZ3      LYS  47  23.250  11.995  19.602
  387    H    MET  48           H        MET  48  20.092  16.800  22.966
  388    HA   MET  48           HA       MET  48  17.440  16.223  23.970
  389    HB2  MET  48           HB2      MET  48  19.222  17.572  25.146
  390    HB3  MET  48           HB3      MET  48  18.924  18.879  23.990
  391    HG2  MET  48           HG2      MET  48  16.486  18.836  24.747
  392    HG3  MET  48           HG3      MET  48  16.974  17.680  25.991
  393    HE1  MET  48           HE1      MET  48  15.433  19.872  27.136
  394    HE2  MET  48           HE2      MET  48  16.435  18.842  28.179
  395    HE3  MET  48           HE3      MET  48  16.475  20.608  28.374
  396    H    SER  49           H        SER  49  15.522  16.528  22.982
  397    HA   SER  49           HA       SER  49  15.192  17.647  20.390
  398    HB2  SER  49           HB2      SER  49  13.035  17.360  22.502
  399    HB3  SER  49           HB3      SER  49  12.837  17.331  20.741
  400    HG   SER  49           HG       SER  49  14.063  15.404  20.697
  401    H    GLU  50           H        GLU  50  14.511  19.097  23.594
  402    HA   GLU  50           HA       GLU  50  13.702  21.668  22.622
  403    HB2  GLU  50           HB2      GLU  50  13.494  20.510  25.000
  404    HB3  GLU  50           HB3      GLU  50  15.100  21.173  25.258
  405    HG2  GLU  50           HG2      GLU  50  13.784  22.785  26.219
  406    HG3  GLU  50           HG3      GLU  50  13.987  23.481  24.622
  407    H    GLY  51           H        GLY  51  16.832  20.260  22.490
  408    HA2  GLY  51           HA2      GLY  51  18.657  22.164  23.250
  409    HA3  GLY  51           HA3      GLY  51  18.856  21.020  21.928
  410    H    GLU  52           H        GLU  52  16.638  22.367  20.342
  411    HA   GLU  52           HA       GLU  52  18.311  24.347  18.954
  412    HB2  GLU  52           HB2      GLU  52  15.388  23.572  18.670
  413    HB3  GLU  52           HB3      GLU  52  16.208  24.752  17.646
  414    HG2  GLU  52           HG2      GLU  52  17.812  23.010  16.907
  415    HG3  GLU  52           HG3      GLU  52  16.986  21.816  17.920
  416    H    GLN  53           H        GLN  53  15.705  24.494  21.390
  417    HA   GLN  53           HA       GLN  53  15.445  27.396  21.307
  418    HB2  GLN  53           HB2      GLN  53  13.784  25.510  22.207
  419    HB3  GLN  53           HB3      GLN  53  14.699  25.745  23.698
  420    HG2  GLN  53           HG2      GLN  53  13.079  27.354  23.967
  421    HG3  GLN  53           HG3      GLN  53  14.281  28.339  23.166
  422   HE21  GLN  53          HE21      GLN  53  11.093  27.033  22.995
  423   HE22  GLN  53          HE22      GLN  53  10.666  27.637  21.398
  424    H    LEU  54           H        LEU  54  17.386  25.046  23.214
  425    HA   LEU  54           HA       LEU  54  18.517  27.095  24.937
  426    HB2  LEU  54           HB2      LEU  54  19.549  24.291  24.292
  427    HB3  LEU  54           HB3      LEU  54  20.211  25.395  25.492
  428    HG   LEU  54           HG       LEU  54  19.002  23.943  26.777
  429   HD11  LEU  54          HD11      LEU  54  16.870  26.044  26.293
  430   HD12  LEU  54          HD12      LEU  54  17.272  25.193  27.803
  431   HD13  LEU  54          HD13      LEU  54  18.394  26.398  27.122
  432   HD21  LEU  54          HD21      LEU  54  16.748  23.170  26.467
  433   HD22  LEU  54          HD22      LEU  54  16.585  24.100  24.972
  434   HD23  LEU  54          HD23      LEU  54  17.739  22.742  25.078
  435    H    ARG  55           H        ARG  55  19.591  25.676  21.809
  436    HA   ARG  55           HA       ARG  55  21.998  27.195  21.573
  437    HB2  ARG  55           HB2      ARG  55  21.473  25.092  20.470
  438    HB3  ARG  55           HB3      ARG  55  20.053  25.793  19.684
  439    HG2  ARG  55           HG2      ARG  55  21.317  27.151  18.325
  440    HG3  ARG  55           HG3      ARG  55  22.859  26.820  19.178
  441    HD2  ARG  55           HD2      ARG  55  22.541  24.367  18.598
  442    HD3  ARG  55           HD3      ARG  55  21.198  24.805  17.571
  443    HE   ARG  55           HE       ARG  55  24.076  25.641  17.188
  444   HH11  ARG  55          HH22      ARG  55  20.913  25.383  15.601
  445   HH12  ARG  55          HH21      ARG  55  21.712  25.314  14.027
  446   HH21  ARG  55          HH12      ARG  55  24.888  25.415  15.143
  447   HH22  ARG  55          HH11      ARG  55  23.765  25.331  13.791
  448    H    GLY  56           H        GLY  56  18.579  27.869  20.824
  449    HA2  GLY  56           HA2      GLY  56  18.836  30.515  19.810
  450    HA3  GLY  56           HA3      GLY  56  17.485  29.883  20.761
  451    H    GLU  57           H        GLU  57  18.759  29.443  23.377
  452    HA   GLU  57           HA       GLU  57  19.063  32.196  24.195
  453    HB2  GLU  57           HB2      GLU  57  19.494  29.569  25.666
  454    HB3  GLU  57           HB3      GLU  57  19.736  31.149  26.393
  455    HG2  GLU  57           HG2      GLU  57  17.105  29.869  25.618
  456    HG3  GLU  57           HG3      GLU  57  17.647  30.561  27.082
  457    H    ILE  58           H        ILE  58  21.466  29.813  23.171
  458    HA   ILE  58           HA       ILE  58  23.743  31.417  24.028
  459    HB   ILE  58           HB       ILE  58  23.660  29.500  21.667
  460   HG12  ILE  58          HG12      ILE  58  24.571  28.886  24.516
  461   HG13  ILE  58          HG13      ILE  58  23.024  28.380  23.830
  462   HG21  ILE  58          HG21      ILE  58  26.106  29.430  21.954
  463   HG22  ILE  58          HG22      ILE  58  25.598  31.083  21.695
  464   HG23  ILE  58          HG23      ILE  58  25.999  30.539  23.342
  465   HD11  ILE  58          HD11      ILE  58  25.766  27.434  22.980
  466   HD12  ILE  58          HD12      ILE  58  24.436  26.505  23.685
  467   HD13  ILE  58          HD13      ILE  58  24.289  27.132  22.034
  468    H    TYR  59           H        TYR  59  21.877  31.233  20.913
  469    HA   TYR  59           HA       TYR  59  23.414  33.208  19.607
  470    HB2  TYR  59           HB2      TYR  59  21.577  31.597  18.680
  471    HB3  TYR  59           HB3      TYR  59  20.467  32.924  19.007
  472    HD1  TYR  59           HD1      TYR  59  20.926  35.219  17.840
  473    HD2  TYR  59           HD2      TYR  59  23.113  31.635  16.934
  474    HE1  TYR  59           HE1      TYR  59  21.869  36.307  15.805
  475    HE2  TYR  59           HE2      TYR  59  24.065  32.718  14.892
  476    HH   TYR  59           HH       TYR  59  23.521  36.162  14.148
  477    H    GLN  60           H        GLN  60  20.410  33.636  21.532
  478    HA   GLN  60           HA       GLN  60  20.183  36.451  21.172
  479    HB2  GLN  60           HB2      GLN  60  19.299  34.572  23.398
  480    HB3  GLN  60           HB3      GLN  60  18.879  36.288  23.384
  481    HG2  GLN  60           HG2      GLN  60  18.122  34.300  21.197
  482    HG3  GLN  60           HG3      GLN  60  17.074  34.807  22.514
  483   HE21  GLN  60          HE21      GLN  60  16.006  35.196  20.077
  484   HE22  GLN  60          HE22      GLN  60  16.097  36.924  19.669
  485    H    ALA  61           H        ALA  61  22.181  34.637  23.519
  486    HA   ALA  61           HA       ALA  61  23.000  37.090  24.889
  487    HB1  ALA  61           HB1      ALA  61  23.864  34.193  25.146
  488    HB2  ALA  61           HB2      ALA  61  24.365  35.523  26.219
  489    HB3  ALA  61           HB3      ALA  61  22.661  35.053  26.131
  490    H    TYR  62           H        TYR  62  24.589  34.852  22.537
  491    HA   TYR  62           HA       TYR  62  26.975  36.649  22.553
  492    HB2  TYR  62           HB2      TYR  62  26.967  33.647  22.228
  493    HB3  TYR  62           HB3      TYR  62  28.369  34.703  22.379
  494    HD1  TYR  62           HD1      TYR  62  28.512  36.179  24.566
  495    HD2  TYR  62           HD2      TYR  62  26.023  32.688  24.167
  496    HE1  TYR  62           HE1      TYR  62  28.274  36.068  27.042
  497    HE2  TYR  62           HE2      TYR  62  25.812  32.550  26.640
  498    HH   TYR  62           HH       TYR  62  27.304  34.999  28.812
  499    H    LYS  63           H        LYS  63  24.555  35.813  20.453
  500    HA   LYS  63           HA       LYS  63  24.244  35.772  18.256
  501    HB2  LYS  63           HB2      LYS  63  26.462  37.829  18.421
  502    HB3  LYS  63           HB3      LYS  63  25.565  37.546  16.940
  503    HG2  LYS  63           HG2      LYS  63  24.245  38.380  19.549
  504    HG3  LYS  63           HG3      LYS  63  24.765  39.478  18.268
  505    HD2  LYS  63           HD2      LYS  63  23.312  38.000  16.688
  506    HD3  LYS  63           HD3      LYS  63  22.539  37.408  18.161
  507    HE2  LYS  63           HE2      LYS  63  22.823  40.360  17.439
  508    HE3  LYS  63           HE3      LYS  63  21.443  39.382  16.924
  509    HZ1  LYS  63           HZ1      LYS  63  21.063  40.625  19.029
  510    HZ2  LYS  63           HZ2      LYS  63  20.847  39.003  19.173
  511    HZ3  LYS  63           HZ3      LYS  63  22.208  39.736  19.769
  512    H    HIS  64           H        HIS  64  25.758  33.583  19.006
  513    HA   HIS  64           HA       HIS  64  26.621  32.779  16.294
  514    HB2  HIS  64           HB2      HIS  64  28.099  31.902  18.803
  515    HB3  HIS  64           HB3      HIS  64  28.402  31.372  17.153
  516    HD1  HIS  64           HD1      HIS  64  29.629  33.257  15.497
  517    HD2  HIS  64           HD2      HIS  64  29.395  34.011  19.636
  518    HE1  HIS  64           HE1      HIS  64  31.342  35.064  15.997
  519    H    GLU  65           H        GLU  65  26.170  30.540  15.861
  520    HA   GLU  65           HA       GLU  65  24.274  29.230  17.791
  521    HB2  GLU  65           HB2      GLU  65  23.283  28.081  15.904
  522    HB3  GLU  65           HB3      GLU  65  23.137  29.818  15.746
  523    HG2  GLU  65           HG2      GLU  65  24.945  29.881  14.092
  524    HG3  GLU  65           HG3      GLU  65  25.235  28.148  14.304
  525    H    THR  66           H        THR  66  27.183  28.747  15.864
  526    HA   THR  66           HA       THR  66  27.975  26.562  17.701
  527    HB   THR  66           HB       THR  66  28.236  26.237  14.698
  528    HG1  THR  66           HG1      THR  66  26.724  24.738  14.754
  529   HG21  THR  66          HG21      THR  66  28.795  23.866  15.289
  530   HG22  THR  66          HG22      THR  66  28.795  24.319  17.005
  531   HG23  THR  66          HG23      THR  66  29.994  25.013  15.878
  532    H    VAL  67           H        VAL  67  30.166  26.498  17.972
  533    HA   VAL  67           HA       VAL  67  32.036  28.052  16.347
  534    HB   VAL  67           HB       VAL  67  31.600  28.797  19.254
  535   HG11  VAL  67          HG11      VAL  67  33.814  29.647  17.339
  536   HG12  VAL  67          HG12      VAL  67  33.486  30.383  18.919
  537   HG13  VAL  67          HG13      VAL  67  34.022  28.705  18.835
  538   HG21  VAL  67          HG21      VAL  67  31.371  31.093  18.370
  539   HG22  VAL  67          HG22      VAL  67  31.382  30.432  16.726
  540   HG23  VAL  67          HG23      VAL  67  30.085  30.004  17.866
  541    HA   PRO  68           HA       PRO  68  30.538  25.604  19.248
  542    HB2  PRO  68           HB2      PRO  68  31.352  24.203  21.399
  543    HB3  PRO  68           HB3      PRO  68  31.278  23.476  19.769
  544    HG2  PRO  68           HG2      PRO  68  33.709  24.713  21.130
  545    HG3  PRO  68           HG3      PRO  68  33.568  23.063  20.444
  546    HD2  PRO  68           HD2      PRO  68  34.605  25.063  18.970
  547    HD3  PRO  68           HD3      PRO  68  33.478  23.898  18.224
  548    H    ALA  69           H        ALA  69  29.676  26.190  21.385
  549    HA   ALA  69           HA       ALA  69  30.953  28.634  22.464
  550    HB1  ALA  69           HB1      ALA  69  28.801  28.927  23.630
  551    HB2  ALA  69           HB2      ALA  69  28.547  28.672  21.894
  552    HB3  ALA  69           HB3      ALA  69  28.244  27.349  23.044
  553    H    ILE  70           H        ILE  70  32.121  28.670  24.241
  554    HA   ILE  70           HA       ILE  70  32.318  26.271  26.006
  555    HB   ILE  70           HB       ILE  70  34.490  28.150  25.000
  556   HG12  ILE  70          HG12      ILE  70  34.511  25.207  24.336
  557   HG13  ILE  70          HG13      ILE  70  33.508  26.268  23.362
  558   HG21  ILE  70          HG21      ILE  70  36.076  26.529  26.073
  559   HG22  ILE  70          HG22      ILE  70  35.052  27.370  27.231
  560   HG23  ILE  70          HG23      ILE  70  34.683  25.689  26.787
  561   HD11  ILE  70          HD11      ILE  70  36.485  26.702  23.792
  562   HD12  ILE  70          HD12      ILE  70  35.728  25.986  22.356
  563   HD13  ILE  70          HD13      ILE  70  35.409  27.678  22.772
  564    H    PHE  71           H        PHE  71  32.359  26.684  28.205
  565    HA   PHE  71           HA       PHE  71  32.415  29.530  29.071
  566    HB2  PHE  71           HB2      PHE  71  30.440  27.388  29.910
  567    HB3  PHE  71           HB3      PHE  71  30.577  28.986  30.631
  568    HD1  PHE  71           HD1      PHE  71  29.589  27.136  27.549
  569    HD2  PHE  71           HD2      PHE  71  29.623  30.937  29.583
  570    HE1  PHE  71           HE1      PHE  71  28.013  28.061  25.864
  571    HE2  PHE  71           HE2      PHE  71  28.024  31.836  27.928
  572    HZ   PHE  71           HZ       PHE  71  27.221  30.412  26.053
  573    H    ILE  72           H        ILE  72  33.264  29.987  31.048
  574    HA   ILE  72           HA       ILE  72  34.171  27.747  32.787
  575    HB   ILE  72           HB       ILE  72  35.935  30.102  32.012
  576   HG12  ILE  72          HG12      ILE  72  36.032  27.127  31.373
  577   HG13  ILE  72          HG13      ILE  72  35.902  28.462  30.234
  578   HG21  ILE  72          HG21      ILE  72  37.614  29.058  33.498
  579   HG22  ILE  72          HG22      ILE  72  36.189  29.474  34.417
  580   HG23  ILE  72          HG23      ILE  72  36.457  27.783  33.943
  581   HD11  ILE  72          HD11      ILE  72  38.227  29.172  30.875
  582   HD12  ILE  72          HD12      ILE  72  38.364  27.676  31.840
  583   HD13  ILE  72          HD13      ILE  72  38.104  27.577  30.095
  584    H    ASN  73           H        ASN  73  33.348  27.987  34.741
  585    HA   ASN  73           HA       ASN  73  32.078  28.824  36.413
  586    HB2  ASN  73           HB2      ASN  73  34.135  31.055  36.286
  587    HB3  ASN  73           HB3      ASN  73  33.033  30.787  37.634
  588   HD21  ASN  73          HD21      ASN  73  35.899  30.776  37.728
  589   HD22  ASN  73          HD22      ASN  73  36.398  29.160  38.198
  590    H    GLY  74           H        GLY  74  30.774  29.340  33.986
  591    HA2  GLY  74           HA2      GLY  74  29.016  30.620  33.160
  592    HA3  GLY  74           HA3      GLY  74  29.039  31.549  34.650
  593    H    ASN  75           H        ASN  75  32.064  31.704  32.983
  594    HA   ASN  75           HA       ASN  75  31.413  34.288  31.632
  595    HB2  ASN  75           HB2      ASN  75  34.115  32.921  32.041
  596    HB3  ASN  75           HB3      ASN  75  33.859  34.525  31.413
  597   HD21  ASN  75          HD21      ASN  75  33.915  32.606  34.278
  598   HD22  ASN  75          HD22      ASN  75  34.027  33.996  35.364
  599    H    PHE  76           H        PHE  76  31.787  34.491  29.350
  600    HA   PHE  76           HA       PHE  76  31.613  31.940  27.849
  601    HB2  PHE  76           HB2      PHE  76  29.869  33.484  27.405
  602    HB3  PHE  76           HB3      PHE  76  30.991  34.821  27.185
  603    HD1  PHE  76           HD1      PHE  76  30.140  31.459  25.693
  604    HD2  PHE  76           HD2      PHE  76  31.710  35.418  25.029
  605    HE1  PHE  76           HE1      PHE  76  30.292  30.998  23.260
  606    HE2  PHE  76           HE2      PHE  76  31.870  34.948  22.599
  607    HZ   PHE  76           HZ       PHE  76  31.161  32.739  21.708
  608    H    ILE  77           H        ILE  77  32.974  31.182  26.428
  609    HA   ILE  77           HA       ILE  77  35.144  32.824  25.248
  610    HB   ILE  77           HB       ILE  77  35.416  29.957  26.242
  611   HG12  ILE  77          HG12      ILE  77  36.855  32.478  27.182
  612   HG13  ILE  77          HG13      ILE  77  35.580  31.639  28.067
  613   HG21  ILE  77          HG21      ILE  77  37.442  31.712  24.769
  614   HG22  ILE  77          HG22      ILE  77  37.755  30.087  25.409
  615   HG23  ILE  77          HG23      ILE  77  36.620  30.284  24.097
  616   HD11  ILE  77          HD11      ILE  77  37.033  29.593  28.165
  617   HD12  ILE  77          HD12      ILE  77  38.364  30.579  27.505
  618   HD13  ILE  77          HD13      ILE  77  37.635  31.005  29.058
  619    H    GLY  78           H        GLY  78  35.186  32.673  23.078
  620    HA2  GLY  78           HA2      GLY  78  34.033  30.236  21.761
  621    HA3  GLY  78           HA3      GLY  78  33.669  31.840  21.128
  622    H    GLY  79           H        GLY  79  35.572  29.256  20.690
  623    HA2  GLY  79           HA2      GLY  79  36.577  29.473  18.404
  624    HA3  GLY  79           HA3      GLY  79  37.589  30.742  19.089
  625    H    CYS  80           H        CYS  80  37.971  27.778  17.983
  626    HA   CYS  80           HA       CYS  80  39.244  26.344  20.133
  627    HB2  CYS  80           HB2      CYS  80  39.634  26.193  17.110
  628    HB3  CYS  80           HB3      CYS  80  40.318  25.049  18.282
  629    HG   CYS  80           HG       CYS  80  37.157  25.801  17.659
  630    H    SER  81           H        SER  81  40.636  28.547  17.636
  631    HA   SER  81           HA       SER  81  43.294  28.437  18.773
  632    HB2  SER  81           HB2      SER  81  42.110  30.567  16.957
  633    HB3  SER  81           HB3      SER  81  43.828  30.286  17.304
  634    HG   SER  81           HG       SER  81  43.256  28.003  16.605
  635    H    ASP  82           H        ASP  82  40.531  30.551  19.348
  636    HA   ASP  82           HA       ASP  82  41.669  32.467  21.076
  637    HB2  ASP  82           HB2      ASP  82  39.266  32.071  19.993
  638    HB3  ASP  82           HB3      ASP  82  38.902  31.281  21.504
  639    H    LEU  83           H        LEU  83  40.284  29.273  21.796
  640    HA   LEU  83           HA       LEU  83  40.684  29.243  24.630
  641    HB2  LEU  83           HB2      LEU  83  39.069  27.811  23.386
  642    HB3  LEU  83           HB3      LEU  83  40.388  27.039  22.538
  643    HG   LEU  83           HG       LEU  83  41.244  26.139  24.695
  644   HD11  LEU  83          HD11      LEU  83  39.681  26.075  26.635
  645   HD12  LEU  83          HD12      LEU  83  40.226  27.720  26.285
  646   HD13  LEU  83          HD13      LEU  83  38.600  27.205  25.787
  647   HD21  LEU  83          HD21      LEU  83  39.617  24.354  24.850
  648   HD22  LEU  83          HD22      LEU  83  38.373  25.361  24.070
  649   HD23  LEU  83          HD23      LEU  83  39.800  24.830  23.157
  650    H    GLU  84           H        GLU  84  42.600  27.839  21.919
  651    HA   GLU  84           HA       GLU  84  44.711  26.796  23.570
  652    HB2  GLU  84           HB2      GLU  84  44.710  27.672  20.643
  653    HB3  GLU  84           HB3      GLU  84  46.098  26.965  21.485
  654    HG2  GLU  84           HG2      GLU  84  44.786  24.966  22.024
  655    HG3  GLU  84           HG3      GLU  84  43.454  25.569  21.026
  656    H    ALA  85           H        ALA  85  44.222  30.031  22.111
  657    HA   ALA  85           HA       ALA  85  46.803  31.063  22.612
  658    HB1  ALA  85           HB1      ALA  85  45.606  33.282  22.490
  659    HB2  ALA  85           HB2      ALA  85  45.204  32.188  21.156
  660    HB3  ALA  85           HB3      ALA  85  44.053  32.411  22.483
  661    H    LEU  86           H        LEU  86  43.936  30.983  24.781
  662    HA   LEU  86           HA       LEU  86  45.326  32.365  26.948
  663    HB2  LEU  86           HB2      LEU  86  42.789  30.665  26.866
  664    HB3  LEU  86           HB3      LEU  86  43.353  31.525  28.297
  665    HG   LEU  86           HG       LEU  86  42.582  32.863  25.667
  666   HD11  LEU  86          HD11      LEU  86  40.605  33.637  26.918
  667   HD12  LEU  86          HD12      LEU  86  40.649  31.873  26.817
  668   HD13  LEU  86          HD13      LEU  86  41.109  32.688  28.332
  669   HD21  LEU  86          HD21      LEU  86  42.641  34.951  26.987
  670   HD22  LEU  86          HD22      LEU  86  43.252  34.065  28.392
  671   HD23  LEU  86          HD23      LEU  86  44.238  34.216  26.917
  672    H    ASP  87           H        ASP  87  44.970  28.976  25.999
  673    HA   ASP  87           HA       ASP  87  46.146  27.849  28.368
  674    HB2  ASP  87           HB2      ASP  87  44.790  26.671  26.555
  675    HB3  ASP  87           HB3      ASP  87  46.270  26.611  25.609
  676    H    LYS  88           H        LYS  88  47.535  29.053  25.338
  677    HA   LYS  88           HA       LYS  88  50.323  28.534  25.974
  678    HB2  LYS  88           HB2      LYS  88  48.819  30.062  23.835
  679    HB3  LYS  88           HB3      LYS  88  50.518  30.396  24.072
  680    HG2  LYS  88           HG2      LYS  88  50.442  28.787  22.369
  681    HG3  LYS  88           HG3      LYS  88  51.033  27.956  23.809
  682    HD2  LYS  88           HD2      LYS  88  48.766  26.975  24.172
  683    HD3  LYS  88           HD3      LYS  88  48.194  27.887  22.763
  684    HE2  LYS  88           HE2      LYS  88  48.541  25.565  22.199
  685    HE3  LYS  88           HE3      LYS  88  49.522  26.661  21.230
  686    HZ1  LYS  88           HZ1      LYS  88  50.665  25.368  23.623
  687    HZ2  LYS  88           HZ2      LYS  88  50.599  24.556  22.198
  688    HZ3  LYS  88           HZ3      LYS  88  51.463  25.957  22.322
  689    H    GLU  89           H        GLU  89  48.298  31.455  26.418
  690    HA   GLU  89           HA       GLU  89  50.527  33.020  27.458
  691    HB2  GLU  89           HB2      GLU  89  47.515  33.477  27.497
  692    HB3  GLU  89           HB3      GLU  89  48.697  34.616  28.143
  693    HG2  GLU  89           HG2      GLU  89  49.801  34.702  25.905
  694    HG3  GLU  89           HG3      GLU  89  48.479  33.771  25.233
  695    H    GLY  90           H        GLY  90  48.861  30.513  28.927
  696    HA2  GLY  90           HA2      GLY  90  49.310  29.628  31.044
  697    HA3  GLY  90           HA3      GLY  90  50.105  31.126  31.505
  698    H    LYS  91           H        LYS  91  46.962  31.736  30.243
  699    HA   LYS  91           HA       LYS  91  46.083  32.600  32.951
  700    HB2  LYS  91           HB2      LYS  91  45.468  33.334  30.072
  701    HB3  LYS  91           HB3      LYS  91  44.353  33.759  31.354
  702    HG2  LYS  91           HG2      LYS  91  46.111  34.972  32.577
  703    HG3  LYS  91           HG3      LYS  91  47.294  34.566  31.327
  704    HD2  LYS  91           HD2      LYS  91  44.739  36.165  30.812
  705    HD3  LYS  91           HD3      LYS  91  46.312  36.889  31.171
  706    HE2  LYS  91           HE2      LYS  91  47.313  35.782  29.211
  707    HE3  LYS  91           HE3      LYS  91  45.755  35.037  28.812
  708    HZ1  LYS  91           HZ1      LYS  91  46.295  37.949  28.865
  709    HZ2  LYS  91           HZ2      LYS  91  46.145  36.986  27.515
  710    HZ3  LYS  91           HZ3      LYS  91  44.850  37.265  28.502
  711    H    LEU  92           H        LEU  92  45.427  30.061  30.749
  712    HA   LEU  92           HA       LEU  92  42.664  29.600  31.727
  713    HB2  LEU  92           HB2      LEU  92  43.646  29.281  29.296
  714    HB3  LEU  92           HB3      LEU  92  44.406  27.837  29.950
  715    HG   LEU  92           HG       LEU  92  42.091  26.983  30.542
  716   HD11  LEU  92          HD11      LEU  92  40.196  28.082  29.288
  717   HD12  LEU  92          HD12      LEU  92  40.809  29.067  30.624
  718   HD13  LEU  92          HD13      LEU  92  41.257  29.455  28.946
  719   HD21  LEU  92          HD21      LEU  92  41.525  26.417  28.213
  720   HD22  LEU  92          HD22      LEU  92  42.570  27.722  27.622
  721   HD23  LEU  92          HD23      LEU  92  43.280  26.334  28.458
  722    H    ASP  93           H        ASP  93  45.910  28.265  32.192
  723    HA   ASP  93           HA       ASP  93  45.029  26.222  34.052
  724    HB2  ASP  93           HB2      ASP  93  47.719  27.497  33.534
  725    HB3  ASP  93           HB3      ASP  93  47.396  26.130  34.602
  726    H    GLY  94           H        GLY  94  45.737  29.660  34.408
  727    HA2  GLY  94           HA2      GLY  94  45.630  29.711  37.301
  728    HA3  GLY  94           HA3      GLY  94  45.310  31.063  36.198
  729    H    LEU  95           H        LEU  95  43.178  29.719  34.733
  730    HA   LEU  95           HA       LEU  95  40.942  30.305  36.489
  731    HB2  LEU  95           HB2      LEU  95  41.222  29.459  33.594
  732    HB3  LEU  95           HB3      LEU  95  39.657  29.516  34.376
  733    HG   LEU  95           HG       LEU  95  41.519  31.921  34.264
  734   HD11  LEU  95          HD11      LEU  95  40.893  31.240  31.984
  735   HD12  LEU  95          HD12      LEU  95  39.174  31.194  32.453
  736   HD13  LEU  95          HD13      LEU  95  40.065  32.732  32.442
  737   HD21  LEU  95          HD21      LEU  95  39.436  33.190  34.710
  738   HD22  LEU  95          HD22      LEU  95  38.539  31.663  34.874
  739   HD23  LEU  95          HD23      LEU  95  39.820  32.094  36.034
  740    H    LEU  96           H        LEU  96  42.527  27.346  35.524
  741    HA   LEU  96           HA       LEU  96  40.569  25.509  36.666
  742    HB2  LEU  96           HB2      LEU  96  43.597  25.165  36.693
  743    HB3  LEU  96           HB3      LEU  96  42.413  23.859  36.784
  744    HG   LEU  96           HG       LEU  96  42.987  25.547  34.359
  745   HD11  LEU  96          HD11      LEU  96  43.865  23.414  33.504
  746   HD12  LEU  96          HD12      LEU  96  44.679  23.838  35.001
  747   HD13  LEU  96          HD13      LEU  96  43.410  22.601  35.011
  748   HD21  LEU  96          HD21      LEU  96  40.990  23.299  34.748
  749   HD22  LEU  96          HD22      LEU  96  40.591  25.013  34.460
  750   HD23  LEU  96          HD23      LEU  96  41.426  24.108  33.214
  751    H    SER  97           H        SER  97  41.911  28.005  38.406
  752    HA   SER  97           HA       SER  97  41.854  26.559  41.000
  753    HB2  SER  97           HB2      SER  97  43.489  28.424  40.550
  754    HB3  SER  97           HB3      SER  97  42.109  29.535  40.489
  755    HG   SER  97           HG       SER  97  43.142  28.008  42.657
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  10.657  21.126  34.216
    2    H2   GLY   1           H2       GLY   1   9.656  20.007  34.895
    3    H3   GLY   1           H3       GLY   1  11.085  19.532  34.233
    4    HA2  GLY   1           HA2      GLY   1  10.789  21.227  36.620
    5    HA3  GLY   1           HA3      GLY   1  11.252  19.514  36.606
    6    H    ALA   2           H        ALA   2  12.599  22.213  37.319
    7    HA   ALA   2           HA       ALA   2  14.618  23.120  37.419
    8    HB1  ALA   2           HB1      ALA   2  15.707  20.495  36.380
    9    HB2  ALA   2           HB2      ALA   2  16.549  21.706  37.365
   10    HB3  ALA   2           HB3      ALA   2  15.193  20.801  38.053
   11    H    MET   3           H        MET   3  16.597  23.862  36.396
   12    HA   MET   3           HA       MET   3  17.603  25.175  34.860
   13    HB2  MET   3           HB2      MET   3  17.482  22.502  33.445
   14    HB3  MET   3           HB3      MET   3  18.610  23.815  33.067
   15    HG2  MET   3           HG2      MET   3  19.444  23.744  35.415
   16    HG3  MET   3           HG3      MET   3  18.399  22.358  35.728
   17    HE1  MET   3           HE1      MET   3  21.541  22.525  36.275
   18    HE2  MET   3           HE2      MET   3  20.524  21.122  36.680
   19    HE3  MET   3           HE3      MET   3  22.032  20.890  35.766
   20    HA   PRO   4           HA       PRO   4  14.249  26.546  31.992
   21    HB2  PRO   4           HB2      PRO   4  15.042  29.205  33.137
   22    HB3  PRO   4           HB3      PRO   4  13.406  28.559  32.809
   23    HG2  PRO   4           HG2      PRO   4  14.363  28.696  35.348
   24    HG3  PRO   4           HG3      PRO   4  13.442  27.256  34.805
   25    HD2  PRO   4           HD2      PRO   4  16.457  27.608  34.956
   26    HD3  PRO   4           HD3      PRO   4  15.447  26.272  35.579
   27    H    SER   5           H        SER   5  17.593  27.403  32.442
   28    HA   SER   5           HA       SER   5  17.957  27.587  29.565
   29    HB2  SER   5           HB2      SER   5  19.478  29.600  29.764
   30    HB3  SER   5           HB3      SER   5  17.758  29.949  29.828
   31    HG   SER   5           HG       SER   5  19.134  31.002  31.489
   32    H    ILE   6           H        ILE   6  20.163  27.369  28.939
   33    HA   ILE   6           HA       ILE   6  21.607  25.388  30.302
   34    HB   ILE   6           HB       ILE   6  23.307  25.683  28.659
   35   HG12  ILE   6          HG12      ILE   6  22.097  28.405  28.186
   36   HG13  ILE   6          HG13      ILE   6  23.766  28.011  28.521
   37   HG21  ILE   6          HG21      ILE   6  20.784  26.145  27.252
   38   HG22  ILE   6          HG22      ILE   6  22.179  25.129  26.816
   39   HG23  ILE   6          HG23      ILE   6  21.135  24.640  28.156
   40   HD11  ILE   6          HD11      ILE   6  23.921  26.936  26.248
   41   HD12  ILE   6          HD12      ILE   6  22.253  27.461  25.930
   42   HD13  ILE   6          HD13      ILE   6  23.521  28.669  26.211
   43    H    ALA   7           H        ALA   7  21.821  28.844  30.730
   44    HA   ALA   7           HA       ALA   7  24.284  29.254  31.921
   45    HB1  ALA   7           HB1      ALA   7  21.586  30.430  32.708
   46    HB2  ALA   7           HB2      ALA   7  23.187  31.149  32.992
   47    HB3  ALA   7           HB3      ALA   7  22.590  30.966  31.340
   48    H    SER   8           H        SER   8  21.405  27.687  33.426
   49    HA   SER   8           HA       SER   8  22.408  27.723  36.120
   50    HB2  SER   8           HB2      SER   8  20.057  27.358  35.634
   51    HB3  SER   8           HB3      SER   8  20.427  25.879  34.721
   52    HG   SER   8           HG       SER   8  20.012  26.147  37.346
   53    H    MET   9           H        MET   9  22.952  25.448  33.422
   54    HA   MET   9           HA       MET   9  24.234  23.327  34.909
   55    HB2  MET   9           HB2      MET   9  24.798  24.146  32.024
   56    HB3  MET   9           HB3      MET   9  25.045  22.570  32.765
   57    HG2  MET   9           HG2      MET   9  22.599  22.315  33.018
   58    HG3  MET   9           HG3      MET   9  22.347  23.884  32.253
   59    HE1  MET   9           HE1      MET   9  20.658  22.825  30.544
   60    HE2  MET   9           HE2      MET   9  21.026  21.407  29.537
   61    HE3  MET   9           HE3      MET   9  20.897  21.236  31.302
   62    H    ILE  10           H        ILE  10  25.355  26.340  33.457
   63    HA   ILE  10           HA       ILE  10  28.178  25.834  33.633
   64    HB   ILE  10           HB       ILE  10  27.139  28.597  33.372
   65   HG12  ILE  10          HG12      ILE  10  26.704  26.253  31.504
   66   HG13  ILE  10          HG13      ILE  10  25.631  27.588  31.974
   67   HG21  ILE  10          HG21      ILE  10  29.606  27.989  33.438
   68   HG22  ILE  10          HG22      ILE  10  29.362  27.023  31.983
   69   HG23  ILE  10          HG23      ILE  10  29.086  28.778  31.945
   70   HD11  ILE  10          HD11      ILE  10  27.093  29.071  30.594
   71   HD12  ILE  10          HD12      ILE  10  27.888  27.558  30.050
   72   HD13  ILE  10          HD13      ILE  10  26.142  27.828  29.723
   73    H    LYS  11           H        LYS  11  25.814  26.894  35.830
   74    HA   LYS  11           HA       LYS  11  27.654  27.832  37.950
   75    HB2  LYS  11           HB2      LYS  11  24.663  27.574  37.887
   76    HB3  LYS  11           HB3      LYS  11  25.631  28.275  39.192
   77    HG2  LYS  11           HG2      LYS  11  26.506  30.018  37.673
   78    HG3  LYS  11           HG3      LYS  11  25.610  29.319  36.316
   79    HD2  LYS  11           HD2      LYS  11  23.502  29.575  37.610
   80    HD3  LYS  11           HD3      LYS  11  24.442  30.367  38.888
   81    HE2  LYS  11           HE2      LYS  11  23.327  32.043  37.509
   82    HE3  LYS  11           HE3      LYS  11  25.086  32.165  37.287
   83    HZ1  LYS  11           HZ1      LYS  11  24.803  30.901  35.210
   84    HZ2  LYS  11           HZ2      LYS  11  23.159  30.845  35.459
   85    HZ3  LYS  11           HZ3      LYS  11  23.920  32.275  35.184
   86    H    GLY  12           H        GLY  12  26.562  24.850  36.852
   87    HA2  GLY  12           HA2      GLY  12  26.687  23.506  39.503
   88    HA3  GLY  12           HA3      GLY  12  26.110  22.825  37.975
   89    H    ASN  13           H        ASN  13  28.254  23.501  36.272
   90    HA   ASN  13           HA       ASN  13  30.506  21.794  37.340
   91    HB2  ASN  13           HB2      ASN  13  29.378  22.176  34.533
   92    HB3  ASN  13           HB3      ASN  13  30.904  21.366  34.860
   93   HD21  ASN  13          HD21      ASN  13  30.785  19.548  36.493
   94   HD22  ASN  13          HD22      ASN  13  29.407  18.462  36.320
   95    H    LYS  14           H        LYS  14  32.630  22.255  36.645
   96    HA   LYS  14           HA       LYS  14  33.311  25.088  36.768
   97    HB2  LYS  14           HB2      LYS  14  34.744  23.200  37.586
   98    HB3  LYS  14           HB3      LYS  14  35.040  22.735  35.934
   99    HG2  LYS  14           HG2      LYS  14  36.887  24.013  36.064
  100    HG3  LYS  14           HG3      LYS  14  35.762  25.330  35.677
  101    HD2  LYS  14           HD2      LYS  14  37.187  26.022  37.449
  102    HD3  LYS  14           HD3      LYS  14  35.507  25.830  38.025
  103    HE2  LYS  14           HE2      LYS  14  36.211  23.547  38.923
  104    HE3  LYS  14           HE3      LYS  14  37.880  23.994  38.531
  105    HZ1  LYS  14           HZ1      LYS  14  36.084  25.476  40.382
  106    HZ2  LYS  14           HZ2      LYS  14  37.312  24.497  40.830
  107    HZ3  LYS  14           HZ3      LYS  14  37.655  25.882  40.063
  108    H    VAL  15           H        VAL  15  33.488  22.677  34.123
  109    HA   VAL  15           HA       VAL  15  33.482  24.920  32.158
  110    HB   VAL  15           HB       VAL  15  34.999  22.315  31.871
  111   HG11  VAL  15          HG11      VAL  15  34.302  23.267  29.717
  112   HG12  VAL  15          HG12      VAL  15  34.993  24.833  30.171
  113   HG13  VAL  15          HG13      VAL  15  36.042  23.419  29.964
  114   HG21  VAL  15          HG21      VAL  15  35.779  25.060  32.876
  115   HG22  VAL  15          HG22      VAL  15  36.203  23.461  33.520
  116   HG23  VAL  15          HG23      VAL  15  36.948  24.059  32.033
  117    H    VAL  16           H        VAL  16  31.996  24.923  30.652
  118    HA   VAL  16           HA       VAL  16  30.405  22.454  30.176
  119    HB   VAL  16           HB       VAL  16  29.177  25.181  30.632
  120   HG11  VAL  16          HG11      VAL  16  27.043  23.913  30.569
  121   HG12  VAL  16          HG12      VAL  16  27.882  23.809  29.014
  122   HG13  VAL  16          HG13      VAL  16  27.925  22.434  30.146
  123   HG21  VAL  16          HG21      VAL  16  29.855  24.228  32.783
  124   HG22  VAL  16          HG22      VAL  16  28.119  23.926  32.605
  125   HG23  VAL  16          HG23      VAL  16  29.267  22.621  32.296
  126    H    VAL  17           H        VAL  17  30.137  21.964  28.076
  127    HA   VAL  17           HA       VAL  17  30.680  24.084  26.023
  128    HB   VAL  17           HB       VAL  17  31.634  21.202  26.148
  129   HG11  VAL  17          HG11      VAL  17  31.002  21.691  23.817
  130   HG12  VAL  17          HG12      VAL  17  31.926  23.210  23.865
  131   HG13  VAL  17          HG13      VAL  17  32.753  21.637  23.979
  132   HG21  VAL  17          HG21      VAL  17  33.024  22.703  27.443
  133   HG22  VAL  17          HG22      VAL  17  33.861  22.267  25.948
  134   HG23  VAL  17          HG23      VAL  17  33.089  23.858  26.096
  135    H    PHE  18           H        PHE  18  29.357  24.212  24.283
  136    HA   PHE  18           HA       PHE  18  27.049  22.292  24.166
  137    HB2  PHE  18           HB2      PHE  18  27.089  25.206  23.327
  138    HB3  PHE  18           HB3      PHE  18  25.706  24.119  23.321
  139    HD1  PHE  18           HD2      PHE  18  24.960  23.105  25.587
  140    HD2  PHE  18           HD1      PHE  18  27.611  26.478  25.261
  141    HE1  PHE  18           HE2      PHE  18  24.508  23.696  27.967
  142    HE2  PHE  18           HE1      PHE  18  27.083  27.119  27.604
  143    HZ   PHE  18           HZ       PHE  18  25.518  25.744  28.946
  144    H    SER  19           H        SER  19  27.079  21.014  22.495
  145    HA   SER  19           HA       SER  19  28.557  21.722  19.986
  146    HB2  SER  19           HB2      SER  19  28.843  19.297  21.801
  147    HB3  SER  19           HB3      SER  19  29.509  19.385  20.159
  148    HG   SER  19           HG       SER  19  31.052  20.003  21.643
  149    H    TRP  20           H        TRP  20  28.359  19.972  18.294
  150    HA   TRP  20           HA       TRP  20  25.638  18.707  18.275
  151    HB2  TRP  20           HB2      TRP  20  26.975  20.358  16.143
  152    HB3  TRP  20           HB3      TRP  20  26.017  18.973  15.678
  153    HD1  TRP  20           HD1      TRP  20  24.364  20.660  18.583
  154    HE1  TRP  20           HE1      TRP  20  22.187  21.752  17.725
  155    HE3  TRP  20           HE3      TRP  20  25.267  20.554  13.544
  156    HZ2  TRP  20           HZ2      TRP  20  21.152  22.756  15.262
  157    HZ3  TRP  20           HZ3      TRP  20  23.704  21.672  11.967
  158    HH2  TRP  20           HH2      TRP  20  21.644  22.773  12.812
  159    H    VAL  21           H        VAL  21  25.560  16.602  17.625
  160    HA   VAL  21           HA       VAL  21  28.113  15.138  17.624
  161    HB   VAL  21           HB       VAL  21  26.481  13.127  17.314
  162   HG11  VAL  21          HG11      VAL  21  26.311  12.903  19.711
  163   HG12  VAL  21          HG12      VAL  21  27.885  13.584  19.288
  164   HG13  VAL  21          HG13      VAL  21  26.604  14.634  19.930
  165   HG21  VAL  21          HG21      VAL  21  24.560  15.088  18.645
  166   HG22  VAL  21          HG22      VAL  21  24.397  14.520  16.967
  167   HG23  VAL  21          HG23      VAL  21  24.303  13.371  18.306
  168    H    THR  22           H        THR  22  28.238  14.397  14.105
  169    HA   THR  22           HA       THR  22  29.773  15.103  16.580
  170    HB   THR  22           HB       THR  22  31.680  13.950  15.481
  171    HG1  THR  22           HG1      THR  22  31.282  12.495  13.905
  172   HG21  THR  22          HG21      THR  22  30.454  12.881  17.302
  173   HG22  THR  22          HG22      THR  22  30.935  11.676  16.103
  174   HG23  THR  22          HG23      THR  22  29.249  12.246  16.170
  175    H    CYS  23           H        CYS  23  31.438  16.617  16.436
  176    HA   CYS  23           HA       CYS  23  31.209  18.405  14.052
  177    HB2  CYS  23           HB2      CYS  23  29.928  19.406  15.701
  178    HB3  CYS  23           HB3      CYS  23  31.052  19.001  16.996
  179    HG   CYS  23           HG       CYS  23  30.782  21.664  16.135
  180    HA   PRO  24           HA       PRO  24  35.556  17.563  13.978
  181    HB2  PRO  24           HB2      PRO  24  36.367  19.093  11.873
  182    HB3  PRO  24           HB3      PRO  24  35.320  17.652  11.684
  183    HG2  PRO  24           HG2      PRO  24  34.464  20.560  11.855
  184    HG3  PRO  24           HG3      PRO  24  33.991  19.324  10.643
  185    HD2  PRO  24           HD2      PRO  24  32.427  19.904  12.796
  186    HD3  PRO  24           HD3      PRO  24  32.558  18.242  12.153
  187    H    TYR  25           H        TYR  25  34.290  20.633  14.836
  188    HA   TYR  25           HA       TYR  25  36.862  21.540  15.990
  189    HB2  TYR  25           HB2      TYR  25  34.045  22.655  16.142
  190    HB3  TYR  25           HB3      TYR  25  35.452  23.400  16.871
  191    HD1  TYR  25           HD2      TYR  25  37.578  23.332  14.927
  192    HD2  TYR  25           HD1      TYR  25  33.356  23.985  14.287
  193    HE1  TYR  25           HE2      TYR  25  38.083  24.694  12.897
  194    HE2  TYR  25           HE1      TYR  25  33.872  25.301  12.241
  195    HH   TYR  25           HH       TYR  25  35.503  26.248  10.944
  196    H    CYS  26           H        CYS  26  33.771  20.117  17.160
  197    HA   CYS  26           HA       CYS  26  34.312  20.521  19.914
  198    HB2  CYS  26           HB2      CYS  26  32.158  20.078  19.115
  199    HB3  CYS  26           HB3      CYS  26  32.547  18.490  18.463
  200    HG   CYS  26           HG       CYS  26  33.071  17.286  20.673
  201    H    VAL  27           H        VAL  27  35.227  17.782  17.879
  202    HA   VAL  27           HA       VAL  27  36.564  16.086  19.614
  203    HB   VAL  27           HB       VAL  27  36.296  15.853  17.352
  204   HG11  VAL  27          HG11      VAL  27  38.445  17.533  16.399
  205   HG12  VAL  27          HG12      VAL  27  37.225  16.596  15.527
  206   HG13  VAL  27          HG13      VAL  27  36.700  17.971  16.483
  207   HG21  VAL  27          HG21      VAL  27  38.080  14.458  18.449
  208   HG22  VAL  27          HG22      VAL  27  38.444  14.715  16.737
  209   HG23  VAL  27          HG23      VAL  27  39.269  15.682  17.982
  210    H    ARG  28           H        ARG  28  37.903  18.511  17.868
  211    HA   ARG  28           HA       ARG  28  40.507  18.801  18.992
  212    HB2  ARG  28           HB2      ARG  28  39.183  21.371  18.143
  213    HB3  ARG  28           HB3      ARG  28  40.877  20.914  18.061
  214    HG2  ARG  28           HG2      ARG  28  40.157  19.176  16.293
  215    HG3  ARG  28           HG3      ARG  28  38.579  20.022  16.342
  216    HD2  ARG  28           HD2      ARG  28  39.779  22.162  15.844
  217    HD3  ARG  28           HD3      ARG  28  41.259  21.215  15.592
  218    HE   ARG  28           HE       ARG  28  39.157  20.110  14.002
  219   HH11  ARG  28          HH22      ARG  28  41.047  23.065  14.095
  220   HH12  ARG  28          HH21      ARG  28  40.571  23.520  12.473
  221   HH21  ARG  28          HH12      ARG  28  39.062  20.455  11.851
  222   HH22  ARG  28          HH11      ARG  28  39.360  22.085  11.240
  223    H    ALA  29           H        ALA  29  37.623  20.560  20.041
  224    HA   ALA  29           HA       ALA  29  38.899  21.972  22.202
  225    HB1  ALA  29           HB1      ALA  29  36.796  22.724  21.154
  226    HB2  ALA  29           HB2      ALA  29  35.960  21.277  21.765
  227    HB3  ALA  29           HB3      ALA  29  36.600  22.482  22.903
  228    H    GLU  30           H        GLU  30  36.854  18.934  22.246
  229    HA   GLU  30           HA       GLU  30  37.131  18.411  25.042
  230    HB2  GLU  30           HB2      GLU  30  36.870  16.527  22.665
  231    HB3  GLU  30           HB3      GLU  30  36.862  15.996  24.344
  232    HG2  GLU  30           HG2      GLU  30  34.834  17.460  24.739
  233    HG3  GLU  30           HG3      GLU  30  34.735  17.703  22.979
  234    H    LYS  31           H        LYS  31  39.345  17.598  22.417
  235    HA   LYS  31           HA       LYS  31  41.089  16.025  23.974
  236    HB2  LYS  31           HB2      LYS  31  41.164  15.901  21.591
  237    HB3  LYS  31           HB3      LYS  31  41.268  17.634  21.403
  238    HG2  LYS  31           HG2      LYS  31  43.643  17.557  22.240
  239    HG3  LYS  31           HG3      LYS  31  43.497  15.794  22.360
  240    HD2  LYS  31           HD2      LYS  31  44.591  16.362  20.267
  241    HD3  LYS  31           HD3      LYS  31  42.972  15.711  19.918
  242    HE2  LYS  31           HE2      LYS  31  42.090  17.938  19.552
  243    HE3  LYS  31           HE3      LYS  31  43.602  18.692  20.071
  244    HZ1  LYS  31           HZ1      LYS  31  44.676  17.792  18.113
  245    HZ2  LYS  31           HZ2      LYS  31  43.343  16.962  17.658
  246    HZ3  LYS  31           HZ3      LYS  31  43.365  18.617  17.633
  247    H    LEU  32           H        LEU  32  41.248  19.485  23.203
  248    HA   LEU  32           HA       LEU  32  43.605  20.078  24.753
  249    HB2  LEU  32           HB2      LEU  32  42.450  21.348  22.824
  250    HB3  LEU  32           HB3      LEU  32  41.335  21.923  24.051
  251    HG   LEU  32           HG       LEU  32  43.021  23.552  23.420
  252   HD11  LEU  32          HD11      LEU  32  42.140  23.560  25.781
  253   HD12  LEU  32          HD12      LEU  32  43.675  22.792  26.269
  254   HD13  LEU  32          HD13      LEU  32  43.684  24.389  25.513
  255   HD21  LEU  32          HD21      LEU  32  45.383  23.343  23.967
  256   HD22  LEU  32          HD22      LEU  32  45.132  21.712  24.608
  257   HD23  LEU  32          HD23      LEU  32  44.889  22.041  22.875
  258    H    LEU  33           H        LEU  33  40.109  20.286  25.502
  259    HA   LEU  33           HA       LEU  33  40.402  21.488  28.058
  260    HB2  LEU  33           HB2      LEU  33  38.209  19.697  26.921
  261    HB3  LEU  33           HB3      LEU  33  38.043  20.559  28.444
  262    HG   LEU  33           HG       LEU  33  38.542  21.914  25.786
  263   HD11  LEU  33          HD11      LEU  33  36.349  20.811  25.791
  264   HD12  LEU  33          HD12      LEU  33  35.903  21.845  27.178
  265   HD13  LEU  33          HD13      LEU  33  36.309  22.568  25.618
  266   HD21  LEU  33          HD21      LEU  33  37.610  23.102  28.390
  267   HD22  LEU  33          HD22      LEU  33  39.243  23.304  27.697
  268   HD23  LEU  33          HD23      LEU  33  37.837  23.976  26.868
  269    H    HIS  34           H        HIS  34  40.267  17.993  27.197
  270    HA   HIS  34           HA       HIS  34  40.844  17.125  29.909
  271    HB2  HIS  34           HB2      HIS  34  40.805  15.876  27.168
  272    HB3  HIS  34           HB3      HIS  34  41.600  15.027  28.494
  273    HD1  HIS  34           HD1      HIS  34  40.058  13.685  30.103
  274    HD2  HIS  34           HD2      HIS  34  38.051  16.378  27.567
  275    HE1  HIS  34           HE1      HIS  34  37.573  13.244  30.422
  276    H    ALA  35           H        ALA  35  43.006  18.074  27.156
  277    HA   ALA  35           HA       ALA  35  45.365  16.950  28.360
  278    HB1  ALA  35           HB1      ALA  35  45.153  17.423  25.952
  279    HB2  ALA  35           HB2      ALA  35  45.080  19.170  26.292
  280    HB3  ALA  35           HB3      ALA  35  46.554  18.250  26.646
  281    H    ARG  36           H        ARG  36  43.822  20.060  28.775
  282    HA   ARG  36           HA       ARG  36  45.928  20.996  30.674
  283    HB2  ARG  36           HB2      ARG  36  44.046  22.293  28.741
  284    HB3  ARG  36           HB3      ARG  36  44.466  23.212  30.164
  285    HG2  ARG  36           HG2      ARG  36  46.574  22.024  28.318
  286    HG3  ARG  36           HG3      ARG  36  45.942  23.671  28.159
  287    HD2  ARG  36           HD2      ARG  36  46.680  24.194  30.467
  288    HD3  ARG  36           HD3      ARG  36  47.326  22.570  30.642
  289    HE   ARG  36           HE       ARG  36  48.381  24.752  28.888
  290   HH11  ARG  36          HH22      ARG  36  49.075  21.600  30.419
  291   HH12  ARG  36          HH21      ARG  36  50.715  21.675  29.778
  292   HH21  ARG  36          HH12      ARG  36  50.581  24.689  28.395
  293   HH22  ARG  36          HH11      ARG  36  51.471  23.204  28.720
  294    H    THR  37           H        THR  37  43.556  19.260  31.131
  295    HA   THR  37           HA       THR  37  42.364  18.585  32.923
  296    HB   THR  37           HB       THR  37  43.464  20.570  34.808
  297    HG1  THR  37           HG1      THR  37  44.986  18.581  33.437
  298   HG21  THR  37          HG21      THR  37  43.475  17.508  34.736
  299   HG22  THR  37          HG22      THR  37  42.257  18.493  35.549
  300   HG23  THR  37          HG23      THR  37  43.935  18.525  36.119
  301    H    LYS  38           H        LYS  38  40.929  20.392  31.416
  302    HA   LYS  38           HA       LYS  38  39.321  22.026  33.322
  303    HB2  LYS  38           HB2      LYS  38  39.011  21.293  30.391
  304    HB3  LYS  38           HB3      LYS  38  37.708  21.958  31.350
  305    HG2  LYS  38           HG2      LYS  38  38.739  23.763  30.154
  306    HG3  LYS  38           HG3      LYS  38  39.079  23.975  31.842
  307    HD2  LYS  38           HD2      LYS  38  41.172  22.562  30.213
  308    HD3  LYS  38           HD3      LYS  38  40.905  24.259  29.869
  309    HE2  LYS  38           HE2      LYS  38  41.643  23.095  32.581
  310    HE3  LYS  38           HE3      LYS  38  42.713  23.958  31.488
  311    HZ1  LYS  38           HZ1      LYS  38  42.044  25.547  33.025
  312    HZ2  LYS  38           HZ2      LYS  38  41.096  25.881  31.755
  313    HZ3  LYS  38           HZ3      LYS  38  40.465  25.063  33.048
  314    H    ASP  39           H        ASP  39  38.468  20.800  34.833
  315    HA   ASP  39           HA       ASP  39  37.029  18.379  34.469
  316    HB2  ASP  39           HB2      ASP  39  37.636  19.350  36.666
  317    HB3  ASP  39           HB3      ASP  39  36.477  20.657  36.416
  318    H    ILE  40           H        ILE  40  35.799  18.174  32.811
  319    HA   ILE  40           HA       ILE  40  34.073  20.387  31.878
  320    HB   ILE  40           HB       ILE  40  36.192  19.973  30.739
  321   HG12  ILE  40          HG12      ILE  40  33.697  20.461  29.475
  322   HG13  ILE  40          HG13      ILE  40  35.299  21.053  29.117
  323   HG21  ILE  40          HG21      ILE  40  36.632  18.052  29.350
  324   HG22  ILE  40          HG22      ILE  40  36.325  17.524  30.995
  325   HG23  ILE  40          HG23      ILE  40  35.064  17.326  29.771
  326   HD11  ILE  40          HD11      ILE  40  34.207  20.038  27.144
  327   HD12  ILE  40          HD12      ILE  40  35.734  19.234  27.555
  328   HD13  ILE  40          HD13      ILE  40  34.160  18.475  27.954
  329    H    THR  41           H        THR  41  32.119  20.225  31.198
  330    HA   THR  41           HA       THR  41  30.765  17.594  30.700
  331    HB   THR  41           HB       THR  41  29.779  20.160  31.986
  332    HG1  THR  41           HG1      THR  41  29.176  18.714  33.577
  333   HG21  THR  41          HG21      THR  41  28.003  19.505  30.425
  334   HG22  THR  41          HG22      THR  41  27.532  19.140  32.075
  335   HG23  THR  41          HG23      THR  41  28.079  17.825  31.006
  336    H    VAL  42           H        VAL  42  30.520  17.402  28.476
  337    HA   VAL  42           HA       VAL  42  29.526  19.818  27.053
  338    HB   VAL  42           HB       VAL  42  31.218  19.261  25.783
  339   HG11  VAL  42          HG11      VAL  42  32.173  17.550  26.807
  340   HG12  VAL  42          HG12      VAL  42  30.896  16.378  26.317
  341   HG13  VAL  42          HG13      VAL  42  32.018  17.089  25.116
  342   HG21  VAL  42          HG21      VAL  42  30.600  18.290  23.716
  343   HG22  VAL  42          HG22      VAL  42  29.143  17.574  24.443
  344   HG23  VAL  42          HG23      VAL  42  29.318  19.347  24.323
  345    H    HIS  43           H        HIS  43  27.720  20.028  26.124
  346    HA   HIS  43           HA       HIS  43  25.560  18.004  26.467
  347    HB2  HIS  43           HB2      HIS  43  25.412  20.163  27.764
  348    HB3  HIS  43           HB3      HIS  43  25.454  21.032  26.256
  349    HD1  HIS  43           HD1      HIS  43  23.146  17.962  26.255
  350    HD2  HIS  43           HD2      HIS  43  23.056  22.096  27.077
  351    HE1  HIS  43           HE1      HIS  43  20.694  18.638  26.363
  352    H    TYR  44           H        TYR  44  24.716  17.194  24.617
  353    HA   TYR  44           HA       TYR  44  25.508  18.427  22.032
  354    HB2  TYR  44           HB2      TYR  44  24.635  15.609  22.716
  355    HB3  TYR  44           HB3      TYR  44  24.899  16.218  21.084
  356    HD1  TYR  44           HD1      TYR  44  27.130  17.271  20.458
  357    HD2  TYR  44           HD2      TYR  44  26.576  14.850  23.981
  358    HE1  TYR  44           HE1      TYR  44  29.601  16.877  20.582
  359    HE2  TYR  44           HE2      TYR  44  29.052  14.552  24.152
  360    HH   TYR  44           HH       TYR  44  31.078  14.960  23.190
  361    H    VAL  45           H        VAL  45  23.985  20.112  22.111
  362    HA   VAL  45           HA       VAL  45  21.221  19.734  22.621
  363    HB   VAL  45           HB       VAL  45  20.853  21.952  21.652
  364   HG11  VAL  45          HG11      VAL  45  22.217  23.207  23.224
  365   HG12  VAL  45          HG12      VAL  45  21.670  21.707  23.977
  366   HG13  VAL  45          HG13      VAL  45  23.347  21.844  23.394
  367   HG21  VAL  45          HG21      VAL  45  23.801  21.870  20.863
  368   HG22  VAL  45          HG22      VAL  45  22.399  21.934  19.765
  369   HG23  VAL  45          HG23      VAL  45  22.753  23.296  20.831
  370    H    ASP  46           H        ASP  46  22.902  18.934  19.705
  371    HA   ASP  46           HA       ASP  46  20.695  18.876  17.877
  372    HB2  ASP  46           HB2      ASP  46  23.179  18.553  17.345
  373    HB3  ASP  46           HB3      ASP  46  23.036  16.926  17.989
  374    H    LYS  47           H        LYS  47  21.486  16.801  20.587
  375    HA   LYS  47           HA       LYS  47  19.814  14.502  19.835
  376    HB2  LYS  47           HB2      LYS  47  21.035  15.302  22.500
  377    HB3  LYS  47           HB3      LYS  47  20.261  13.783  22.116
  378    HG2  LYS  47           HG2      LYS  47  22.102  13.827  20.097
  379    HG3  LYS  47           HG3      LYS  47  22.962  14.762  21.327
  380    HD2  LYS  47           HD2      LYS  47  22.382  12.840  22.959
  381    HD3  LYS  47           HD3      LYS  47  21.787  11.984  21.522
  382    HE2  LYS  47           HE2      LYS  47  24.179  12.509  20.546
  383    HE3  LYS  47           HE3      LYS  47  24.640  12.816  22.220
  384    HZ1  LYS  47           HZ1      LYS  47  24.126  10.544  22.773
  385    HZ2  LYS  47           HZ2      LYS  47  23.374  10.286  21.328
  386    HZ3  LYS  47           HZ3      LYS  47  24.998  10.499  21.384
  387    H    MET  48           H        MET  48  19.142  17.663  21.074
  388    HA   MET  48           HA       MET  48  16.873  16.715  22.745
  389    HB2  MET  48           HB2      MET  48  18.840  17.976  23.729
  390    HB3  MET  48           HB3      MET  48  18.296  19.391  22.822
  391    HG2  MET  48           HG2      MET  48  16.061  19.163  24.012
  392    HG3  MET  48           HG3      MET  48  16.781  17.877  24.989
  393    HE1  MET  48           HE1      MET  48  16.414  19.293  27.490
  394    HE2  MET  48           HE2      MET  48  16.361  21.057  27.329
  395    HE3  MET  48           HE3      MET  48  15.342  20.036  26.296
  396    H    SER  49           H        SER  49  14.851  17.173  22.293
  397    HA   SER  49           HA       SER  49  13.750  18.331  20.001
  398    HB2  SER  49           HB2      SER  49  11.689  18.503  21.469
  399    HB3  SER  49           HB3      SER  49  12.490  16.919  21.534
  400    HG   SER  49           HG       SER  49  12.011  17.717  23.662
  401    H    GLU  50           H        GLU  50  14.399  19.808  23.090
  402    HA   GLU  50           HA       GLU  50  13.583  22.490  22.468
  403    HB2  GLU  50           HB2      GLU  50  14.035  20.874  24.731
  404    HB3  GLU  50           HB3      GLU  50  15.291  22.087  24.862
  405    HG2  GLU  50           HG2      GLU  50  13.744  23.814  25.214
  406    HG3  GLU  50           HG3      GLU  50  12.455  22.982  24.328
  407    H    GLY  51           H        GLY  51  16.509  21.026  21.633
  408    HA2  GLY  51           HA2      GLY  51  18.518  22.703  22.490
  409    HA3  GLY  51           HA3      GLY  51  18.529  21.844  20.943
  410    H    GLU  52           H        GLU  52  16.199  23.680  19.973
  411    HA   GLU  52           HA       GLU  52  17.937  25.759  18.836
  412    HB2  GLU  52           HB2      GLU  52  14.953  25.278  18.587
  413    HB3  GLU  52           HB3      GLU  52  15.808  26.597  17.834
  414    HG2  GLU  52           HG2      GLU  52  15.371  24.587  16.348
  415    HG3  GLU  52           HG3      GLU  52  16.983  25.286  16.374
  416    H    GLN  53           H        GLN  53  15.707  25.499  21.510
  417    HA   GLN  53           HA       GLN  53  15.497  28.334  22.134
  418    HB2  GLN  53           HB2      GLN  53  13.967  26.307  22.809
  419    HB3  GLN  53           HB3      GLN  53  15.146  26.082  24.104
  420    HG2  GLN  53           HG2      GLN  53  13.395  27.497  24.912
  421    HG3  GLN  53           HG3      GLN  53  14.833  28.493  24.746
  422   HE21  GLN  53          HE21      GLN  53  13.795  30.493  24.443
  423   HE22  GLN  53          HE22      GLN  53  12.701  30.824  23.105
  424    H    LEU  54           H        LEU  54  17.586  25.599  23.269
  425    HA   LEU  54           HA       LEU  54  19.118  27.294  25.054
  426    HB2  LEU  54           HB2      LEU  54  19.827  24.579  23.859
  427    HB3  LEU  54           HB3      LEU  54  20.718  25.391  25.121
  428    HG   LEU  54           HG       LEU  54  19.551  23.998  26.436
  429   HD11  LEU  54          HD11      LEU  54  18.687  26.309  27.104
  430   HD12  LEU  54          HD12      LEU  54  17.233  25.946  26.165
  431   HD13  LEU  54          HD13      LEU  54  17.671  24.938  27.551
  432   HD21  LEU  54          HD21      LEU  54  17.341  23.090  26.026
  433   HD22  LEU  54          HD22      LEU  54  17.190  24.082  24.567
  434   HD23  LEU  54          HD23      LEU  54  18.443  22.813  24.673
  435    H    ARG  55           H        ARG  55  19.616  26.274  21.664
  436    HA   ARG  55           HA       ARG  55  22.008  27.811  21.177
  437    HB2  ARG  55           HB2      ARG  55  19.695  26.980  19.381
  438    HB3  ARG  55           HB3      ARG  55  21.122  27.815  18.785
  439    HG2  ARG  55           HG2      ARG  55  22.583  25.986  19.391
  440    HG3  ARG  55           HG3      ARG  55  21.336  25.209  20.338
  441    HD2  ARG  55           HD2      ARG  55  21.517  23.941  18.364
  442    HD3  ARG  55           HD3      ARG  55  20.005  24.833  18.244
  443    HE   ARG  55           HE       ARG  55  22.523  25.798  16.897
  444   HH11  ARG  55          HH12      ARG  55  19.202  24.627  16.394
  445   HH12  ARG  55          HH11      ARG  55  19.131  25.468  14.856
  446   HH21  ARG  55          HH22      ARG  55  22.437  26.367  14.833
  447   HH22  ARG  55          HH21      ARG  55  20.956  26.264  13.907
  448    H    GLY  56           H        GLY  56  18.579  28.814  21.270
  449    HA2  GLY  56           HA2      GLY  56  18.946  31.546  20.512
  450    HA3  GLY  56           HA3      GLY  56  17.624  30.882  21.478
  451    H    GLU  57           H        GLU  57  19.010  30.010  23.796
  452    HA   GLU  57           HA       GLU  57  19.543  32.402  25.284
  453    HB2  GLU  57           HB2      GLU  57  20.275  29.510  25.793
  454    HB3  GLU  57           HB3      GLU  57  20.730  30.798  26.885
  455    HG2  GLU  57           HG2      GLU  57  17.866  29.957  26.224
  456    HG3  GLU  57           HG3      GLU  57  18.784  29.696  27.660
  457    H    ILE  58           H        ILE  58  21.812  30.305  23.458
  458    HA   ILE  58           HA       ILE  58  24.166  31.887  24.152
  459    HB   ILE  58           HB       ILE  58  23.767  30.141  21.693
  460   HG12  ILE  58          HG12      ILE  58  24.995  29.335  24.369
  461   HG13  ILE  58          HG13      ILE  58  23.392  28.860  23.824
  462   HG21  ILE  58          HG21      ILE  58  26.367  30.898  23.103
  463   HG22  ILE  58          HG22      ILE  58  26.169  30.072  21.543
  464   HG23  ILE  58          HG23      ILE  58  25.736  31.762  21.684
  465   HD11  ILE  58          HD11      ILE  58  24.857  27.024  23.431
  466   HD12  ILE  58          HD12      ILE  58  24.394  27.700  21.857
  467   HD13  ILE  58          HD13      ILE  58  26.005  28.028  22.537
  468    H    TYR  59           H        TYR  59  21.931  31.850  21.325
  469    HA   TYR  59           HA       TYR  59  23.295  33.753  19.837
  470    HB2  TYR  59           HB2      TYR  59  21.335  32.128  19.244
  471    HB3  TYR  59           HB3      TYR  59  20.311  33.516  19.573
  472    HD1  TYR  59           HD1      TYR  59  20.738  35.673  18.196
  473    HD2  TYR  59           HD2      TYR  59  22.647  31.925  17.342
  474    HE1  TYR  59           HE1      TYR  59  21.274  36.467  15.897
  475    HE2  TYR  59           HE2      TYR  59  23.194  32.694  15.045
  476    HH   TYR  59           HH       TYR  59  22.939  34.387  13.510
  477    H    GLN  60           H        GLN  60  20.534  34.410  22.077
  478    HA   GLN  60           HA       GLN  60  20.313  37.168  21.439
  479    HB2  GLN  60           HB2      GLN  60  19.662  35.588  23.953
  480    HB3  GLN  60           HB3      GLN  60  19.312  37.312  23.824
  481    HG2  GLN  60           HG2      GLN  60  18.239  35.241  21.858
  482    HG3  GLN  60           HG3      GLN  60  17.389  35.767  23.301
  483   HE21  GLN  60          HE21      GLN  60  15.848  36.177  21.321
  484   HE22  GLN  60          HE22      GLN  60  15.851  37.856  20.778
  485    H    ALA  61           H        ALA  61  22.528  35.590  23.739
  486    HA   ALA  61           HA       ALA  61  23.648  38.157  24.623
  487    HB1  ALA  61           HB1      ALA  61  24.518  35.283  25.083
  488    HB2  ALA  61           HB2      ALA  61  25.179  36.714  25.907
  489    HB3  ALA  61           HB3      ALA  61  23.481  36.261  26.151
  490    H    TYR  62           H        TYR  62  24.740  35.535  22.409
  491    HA   TYR  62           HA       TYR  62  27.263  37.060  21.942
  492    HB2  TYR  62           HB2      TYR  62  26.791  34.077  21.818
  493    HB3  TYR  62           HB3      TYR  62  28.336  34.904  21.735
  494    HD1  TYR  62           HD1      TYR  62  28.689  36.662  23.843
  495    HD2  TYR  62           HD2      TYR  62  26.315  33.069  23.878
  496    HE1  TYR  62           HE1      TYR  62  28.850  36.580  26.319
  497    HE2  TYR  62           HE2      TYR  62  26.523  32.963  26.368
  498    HH   TYR  62           HH       TYR  62  28.252  35.481  28.222
  499    H    LYS  63           H        LYS  63  24.500  36.366  20.223
  500    HA   LYS  63           HA       LYS  63  23.877  35.982  18.131
  501    HB2  LYS  63           HB2      LYS  63  26.231  37.775  17.510
  502    HB3  LYS  63           HB3      LYS  63  24.982  37.371  16.341
  503    HG2  LYS  63           HG2      LYS  63  24.472  38.843  18.955
  504    HG3  LYS  63           HG3      LYS  63  24.702  39.594  17.373
  505    HD2  LYS  63           HD2      LYS  63  22.718  38.283  16.523
  506    HD3  LYS  63           HD3      LYS  63  22.424  37.747  18.198
  507    HE2  LYS  63           HE2      LYS  63  22.287  40.151  18.892
  508    HE3  LYS  63           HE3      LYS  63  22.505  40.629  17.200
  509    HZ1  LYS  63           HZ1      LYS  63  20.162  40.590  17.742
  510    HZ2  LYS  63           HZ2      LYS  63  20.454  39.413  16.671
  511    HZ3  LYS  63           HZ3      LYS  63  20.226  39.018  18.239
  512    H    HIS  64           H        HIS  64  25.368  33.888  19.129
  513    HA   HIS  64           HA       HIS  64  26.082  32.509  16.602
  514    HB2  HIS  64           HB2      HIS  64  27.615  32.288  19.229
  515    HB3  HIS  64           HB3      HIS  64  27.812  31.220  17.840
  516    HD1  HIS  64           HD1      HIS  64  28.503  32.732  15.452
  517    HD2  HIS  64           HD2      HIS  64  29.405  34.191  19.296
  518    HE1  HIS  64           HE1      HIS  64  30.332  34.481  15.144
  519    H    GLU  65           H        GLU  65  25.496  30.340  16.578
  520    HA   GLU  65           HA       GLU  65  23.762  29.363  18.827
  521    HB2  GLU  65           HB2      GLU  65  22.558  28.043  17.031
  522    HB3  GLU  65           HB3      GLU  65  22.241  29.753  17.165
  523    HG2  GLU  65           HG2      GLU  65  22.268  29.231  14.871
  524    HG3  GLU  65           HG3      GLU  65  23.681  30.209  15.193
  525    H    THR  66           H        THR  66  26.279  28.461  16.482
  526    HA   THR  66           HA       THR  66  27.223  26.430  18.400
  527    HB   THR  66           HB       THR  66  27.647  24.788  16.560
  528    HG1  THR  66           HG1      THR  66  25.541  26.145  15.230
  529   HG21  THR  66          HG21      THR  66  25.840  24.389  18.214
  530   HG22  THR  66          HG22      THR  66  25.525  23.662  16.628
  531   HG23  THR  66          HG23      THR  66  24.685  25.151  17.100
  532    H    VAL  67           H        VAL  67  29.407  25.983  18.134
  533    HA   VAL  67           HA       VAL  67  31.015  27.449  16.177
  534    HB   VAL  67           HB       VAL  67  31.126  28.215  19.112
  535   HG11  VAL  67          HG11      VAL  67  33.090  28.889  16.883
  536   HG12  VAL  67          HG12      VAL  67  33.046  29.674  18.474
  537   HG13  VAL  67          HG13      VAL  67  33.446  27.962  18.359
  538   HG21  VAL  67          HG21      VAL  67  30.668  29.854  16.605
  539   HG22  VAL  67          HG22      VAL  67  29.513  29.542  17.921
  540   HG23  VAL  67          HG23      VAL  67  30.936  30.526  18.228
  541    HA   PRO  68           HA       PRO  68  29.922  25.010  19.250
  542    HB2  PRO  68           HB2      PRO  68  31.062  23.533  21.196
  543    HB3  PRO  68           HB3      PRO  68  30.621  22.831  19.608
  544    HG2  PRO  68           HG2      PRO  68  33.340  23.872  20.489
  545    HG3  PRO  68           HG3      PRO  68  32.942  22.267  19.794
  546    HD2  PRO  68           HD2      PRO  68  33.828  24.271  18.222
  547    HD3  PRO  68           HD3      PRO  68  32.517  23.189  17.657
  548    H    ALA  69           H        ALA  69  29.487  25.726  21.450
  549    HA   ALA  69           HA       ALA  69  31.122  28.128  22.109
  550    HB1  ALA  69           HB1      ALA  69  28.328  27.310  22.993
  551    HB2  ALA  69           HB2      ALA  69  29.136  28.853  23.344
  552    HB3  ALA  69           HB3      ALA  69  28.712  28.440  21.674
  553    H    ILE  70           H        ILE  70  32.231  28.352  24.011
  554    HA   ILE  70           HA       ILE  70  32.354  25.977  25.826
  555    HB   ILE  70           HB       ILE  70  34.575  27.716  24.688
  556   HG12  ILE  70          HG12      ILE  70  34.367  24.725  24.258
  557   HG13  ILE  70          HG13      ILE  70  33.516  25.828  23.188
  558   HG21  ILE  70          HG21      ILE  70  36.150  26.181  25.863
  559   HG22  ILE  70          HG22      ILE  70  35.147  27.096  26.980
  560   HG23  ILE  70          HG23      ILE  70  34.771  25.392  26.652
  561   HD11  ILE  70          HD11      ILE  70  35.665  25.243  22.226
  562   HD12  ILE  70          HD12      ILE  70  35.601  26.977  22.593
  563   HD13  ILE  70          HD13      ILE  70  36.517  25.877  23.645
  564    H    PHE  71           H        PHE  71  32.234  26.424  27.985
  565    HA   PHE  71           HA       PHE  71  32.593  29.254  28.848
  566    HB2  PHE  71           HB2      PHE  71  30.373  27.323  29.582
  567    HB3  PHE  71           HB3      PHE  71  30.691  28.838  30.407
  568    HD1  PHE  71           HD2      PHE  71  29.708  27.385  27.107
  569    HD2  PHE  71           HD1      PHE  71  29.861  30.918  29.577
  570    HE1  PHE  71           HE2      PHE  71  28.283  28.604  25.473
  571    HE2  PHE  71           HE1      PHE  71  28.410  32.108  27.959
  572    HZ   PHE  71           HZ       PHE  71  27.639  30.952  25.888
  573    H    ILE  72           H        ILE  72  33.585  29.628  30.755
  574    HA   ILE  72           HA       ILE  72  34.099  27.326  32.587
  575    HB   ILE  72           HB       ILE  72  36.136  29.503  31.992
  576   HG12  ILE  72          HG12      ILE  72  35.967  26.564  31.222
  577   HG13  ILE  72          HG13      ILE  72  36.152  27.947  30.162
  578   HG21  ILE  72          HG21      ILE  72  37.537  28.157  33.620
  579   HG22  ILE  72          HG22      ILE  72  36.130  28.849  34.373
  580   HG23  ILE  72          HG23      ILE  72  36.134  27.127  33.936
  581   HD11  ILE  72          HD11      ILE  72  38.225  26.729  30.231
  582   HD12  ILE  72          HD12      ILE  72  38.474  28.274  31.059
  583   HD13  ILE  72          HD13      ILE  72  38.291  26.769  31.994
  584    H    ASN  73           H        ASN  73  33.225  27.670  34.503
  585    HA   ASN  73           HA       ASN  73  31.966  28.665  36.086
  586    HB2  ASN  73           HB2      ASN  73  34.466  30.375  36.104
  587    HB3  ASN  73           HB3      ASN  73  33.228  30.489  37.343
  588   HD21  ASN  73          HD21      ASN  73  36.033  29.609  37.630
  589   HD22  ASN  73          HD22      ASN  73  35.870  28.101  38.483
  590    H    GLY  74           H        GLY  74  30.754  29.345  33.840
  591    HA2  GLY  74           HA2      GLY  74  29.014  30.688  33.108
  592    HA3  GLY  74           HA3      GLY  74  29.447  31.872  34.336
  593    H    ASN  75           H        ASN  75  32.325  31.646  32.809
  594    HA   ASN  75           HA       ASN  75  31.790  34.033  31.142
  595    HB2  ASN  75           HB2      ASN  75  34.308  32.733  32.259
  596    HB3  ASN  75           HB3      ASN  75  34.378  34.041  31.118
  597   HD21  ASN  75          HD21      ASN  75  33.633  33.224  34.418
  598   HD22  ASN  75          HD22      ASN  75  33.594  34.911  34.918
  599    H    PHE  76           H        PHE  76  32.245  34.223  28.966
  600    HA   PHE  76           HA       PHE  76  32.014  31.704  27.488
  601    HB2  PHE  76           HB2      PHE  76  30.328  33.379  27.172
  602    HB3  PHE  76           HB3      PHE  76  31.526  34.607  26.802
  603    HD1  PHE  76           HD1      PHE  76  30.821  31.108  25.499
  604    HD2  PHE  76           HD2      PHE  76  31.460  35.276  24.580
  605    HE1  PHE  76           HE1      PHE  76  30.686  30.607  23.077
  606    HE2  PHE  76           HE2      PHE  76  31.300  34.767  22.161
  607    HZ   PHE  76           HZ       PHE  76  30.917  32.429  21.401
  608    H    ILE  77           H        ILE  77  33.277  30.864  26.063
  609    HA   ILE  77           HA       ILE  77  35.566  32.250  24.768
  610    HB   ILE  77           HB       ILE  77  35.514  29.438  25.943
  611   HG12  ILE  77          HG12      ILE  77  37.297  31.779  26.738
  612   HG13  ILE  77          HG13      ILE  77  35.884  31.244  27.645
  613   HG21  ILE  77          HG21      ILE  77  37.780  30.814  24.432
  614   HG22  ILE  77          HG22      ILE  77  37.823  29.185  25.134
  615   HG23  ILE  77          HG23      ILE  77  36.763  29.509  23.781
  616   HD11  ILE  77          HD11      ILE  77  36.934  29.002  27.964
  617   HD12  ILE  77          HD12      ILE  77  38.427  29.641  27.235
  618   HD13  ILE  77          HD13      ILE  77  37.801  30.347  28.729
  619    H    GLY  78           H        GLY  78  35.647  31.756  22.481
  620    HA2  GLY  78           HA2      GLY  78  34.051  29.416  21.570
  621    HA3  GLY  78           HA3      GLY  78  33.550  30.975  20.935
  622    H    GLY  79           H        GLY  79  35.218  28.326  20.274
  623    HA2  GLY  79           HA2      GLY  79  36.159  28.110  17.985
  624    HA3  GLY  79           HA3      GLY  79  37.102  29.566  18.305
  625    H    CYS  80           H        CYS  80  37.962  26.750  17.669
  626    HA   CYS  80           HA       CYS  80  39.171  25.558  20.019
  627    HB2  CYS  80           HB2      CYS  80  39.864  25.335  17.046
  628    HB3  CYS  80           HB3      CYS  80  40.431  24.247  18.326
  629    HG   CYS  80           HG       CYS  80  38.105  23.379  19.075
  630    H    SER  81           H        SER  81  40.264  27.765  17.486
  631    HA   SER  81           HA       SER  81  42.925  28.222  18.339
  632    HB2  SER  81           HB2      SER  81  41.699  28.814  16.146
  633    HB3  SER  81           HB3      SER  81  41.104  30.245  16.995
  634    HG   SER  81           HG       SER  81  43.738  29.494  16.293
  635    H    ASP  82           H        ASP  82  39.880  29.776  19.335
  636    HA   ASP  82           HA       ASP  82  40.950  31.980  20.811
  637    HB2  ASP  82           HB2      ASP  82  38.592  31.507  19.849
  638    HB3  ASP  82           HB3      ASP  82  38.286  30.559  21.279
  639    H    LEU  83           H        LEU  83  39.826  28.797  21.733
  640    HA   LEU  83           HA       LEU  83  40.291  28.921  24.570
  641    HB2  LEU  83           HB2      LEU  83  38.816  27.263  23.563
  642    HB3  LEU  83           HB3      LEU  83  40.118  26.645  22.553
  643    HG   LEU  83           HG       LEU  83  41.307  25.813  24.556
  644   HD11  LEU  83          HD11      LEU  83  40.083  25.642  26.708
  645   HD12  LEU  83          HD12      LEU  83  40.418  27.325  26.284
  646   HD13  LEU  83          HD13      LEU  83  38.783  26.664  26.048
  647   HD21  LEU  83          HD21      LEU  83  39.794  24.347  23.279
  648   HD22  LEU  83          HD22      LEU  83  39.828  23.922  24.993
  649   HD23  LEU  83          HD23      LEU  83  38.443  24.816  24.334
  650    H    GLU  84           H        GLU  84  42.355  27.655  21.899
  651    HA   GLU  84           HA       GLU  84  44.595  27.053  23.629
  652    HB2  GLU  84           HB2      GLU  84  44.318  27.328  20.622
  653    HB3  GLU  84           HB3      GLU  84  45.846  26.901  21.434
  654    HG2  GLU  84           HG2      GLU  84  44.893  24.943  22.424
  655    HG3  GLU  84           HG3      GLU  84  43.269  25.362  21.885
  656    H    ALA  85           H        ALA  85  43.648  30.031  21.941
  657    HA   ALA  85           HA       ALA  85  46.080  31.472  22.265
  658    HB1  ALA  85           HB1      ALA  85  43.206  32.479  22.224
  659    HB2  ALA  85           HB2      ALA  85  44.663  33.462  21.982
  660    HB3  ALA  85           HB3      ALA  85  44.248  32.203  20.811
  661    H    LEU  86           H        LEU  86  43.411  30.923  24.560
  662    HA   LEU  86           HA       LEU  86  44.528  32.575  26.670
  663    HB2  LEU  86           HB2      LEU  86  42.392  30.420  26.565
  664    HB3  LEU  86           HB3      LEU  86  42.896  31.134  28.093
  665    HG   LEU  86           HG       LEU  86  41.890  32.813  25.761
  666   HD11  LEU  86          HD11      LEU  86  40.379  31.778  28.198
  667   HD12  LEU  86          HD12      LEU  86  39.768  32.955  27.015
  668   HD13  LEU  86          HD13      LEU  86  40.116  31.299  26.500
  669   HD21  LEU  86          HD21      LEU  86  43.238  34.088  27.394
  670   HD22  LEU  86          HD22      LEU  86  41.544  34.508  27.545
  671   HD23  LEU  86          HD23      LEU  86  42.268  33.417  28.734
  672    H    ASP  87           H        ASP  87  45.052  29.206  25.711
  673    HA   ASP  87           HA       ASP  87  46.619  28.544  28.089
  674    HB2  ASP  87           HB2      ASP  87  45.661  26.826  26.569
  675    HB3  ASP  87           HB3      ASP  87  46.777  27.334  25.314
  676    H    LYS  88           H        LYS  88  47.370  29.865  24.879
  677    HA   LYS  88           HA       LYS  88  50.196  30.110  25.267
  678    HB2  LYS  88           HB2      LYS  88  48.480  32.047  23.683
  679    HB3  LYS  88           HB3      LYS  88  50.193  31.792  23.539
  680    HG2  LYS  88           HG2      LYS  88  47.941  30.285  22.382
  681    HG3  LYS  88           HG3      LYS  88  49.526  30.635  21.735
  682    HD2  LYS  88           HD2      LYS  88  50.424  28.761  23.242
  683    HD3  LYS  88           HD3      LYS  88  48.728  28.349  23.584
  684    HE2  LYS  88           HE2      LYS  88  48.304  28.282  21.100
  685    HE3  LYS  88           HE3      LYS  88  50.034  28.523  20.819
  686    HZ1  LYS  88           HZ1      LYS  88  49.282  26.183  20.742
  687    HZ2  LYS  88           HZ2      LYS  88  50.469  26.390  21.869
  688    HZ3  LYS  88           HZ3      LYS  88  48.897  26.237  22.323
  689    H    GLU  89           H        GLU  89  47.607  32.321  26.242
  690    HA   GLU  89           HA       GLU  89  49.465  34.188  27.533
  691    HB2  GLU  89           HB2      GLU  89  46.428  33.939  27.655
  692    HB3  GLU  89           HB3      GLU  89  47.374  35.205  28.431
  693    HG2  GLU  89           HG2      GLU  89  48.304  35.784  26.121
  694    HG3  GLU  89           HG3      GLU  89  47.010  34.777  25.462
  695    H    GLY  90           H        GLY  90  48.705  31.107  28.504
  696    HA2  GLY  90           HA2      GLY  90  49.046  30.031  30.499
  697    HA3  GLY  90           HA3      GLY  90  49.656  31.553  31.167
  698    H    LYS  91           H        LYS  91  46.483  31.858  29.904
  699    HA   LYS  91           HA       LYS  91  45.421  32.308  32.637
  700    HB2  LYS  91           HB2      LYS  91  44.794  33.293  29.840
  701    HB3  LYS  91           HB3      LYS  91  43.535  33.297  31.060
  702    HG2  LYS  91           HG2      LYS  91  44.979  34.622  32.590
  703    HG3  LYS  91           HG3      LYS  91  46.231  34.691  31.347
  704    HD2  LYS  91           HD2      LYS  91  43.406  35.811  31.012
  705    HD3  LYS  91           HD3      LYS  91  44.801  36.761  31.549
  706    HE2  LYS  91           HE2      LYS  91  45.996  36.254  29.456
  707    HE3  LYS  91           HE3      LYS  91  44.627  35.280  28.893
  708    HZ1  LYS  91           HZ1      LYS  91  44.664  38.221  29.277
  709    HZ2  LYS  91           HZ2      LYS  91  44.493  37.375  27.895
  710    HZ3  LYS  91           HZ3      LYS  91  43.279  37.356  28.993
  711    H    LEU  92           H        LEU  92  45.303  29.867  30.214
  712    HA   LEU  92           HA       LEU  92  42.702  28.837  31.112
  713    HB2  LEU  92           HB2      LEU  92  43.815  28.514  28.794
  714    HB3  LEU  92           HB3      LEU  92  44.895  27.373  29.578
  715    HG   LEU  92           HG       LEU  92  42.939  25.978  30.237
  716   HD11  LEU  92          HD11      LEU  92  40.736  26.429  29.071
  717   HD12  LEU  92          HD12      LEU  92  41.120  27.635  30.308
  718   HD13  LEU  92          HD13      LEU  92  41.365  28.009  28.593
  719   HD21  LEU  92          HD21      LEU  92  42.446  25.127  27.979
  720   HD22  LEU  92          HD22      LEU  92  43.070  26.628  27.264
  721   HD23  LEU  92          HD23      LEU  92  44.160  25.535  28.138
  722    H    ASP  93           H        ASP  93  46.063  28.339  32.015
  723    HA   ASP  93           HA       ASP  93  45.471  26.437  34.131
  724    HB2  ASP  93           HB2      ASP  93  47.716  28.408  33.594
  725    HB3  ASP  93           HB3      ASP  93  47.624  27.484  35.076
  726    H    GLY  94           H        GLY  94  45.602  30.046  34.017
  727    HA2  GLY  94           HA2      GLY  94  44.867  30.557  36.691
  728    HA3  GLY  94           HA3      GLY  94  44.536  31.629  35.326
  729    H    LEU  95           H        LEU  95  42.795  29.858  33.931
  730    HA   LEU  95           HA       LEU  95  40.287  30.170  35.281
  731    HB2  LEU  95           HB2      LEU  95  41.181  29.046  32.630
  732    HB3  LEU  95           HB3      LEU  95  39.512  28.903  33.129
  733    HG   LEU  95           HG       LEU  95  40.906  31.606  33.116
  734   HD11  LEU  95          HD11      LEU  95  41.024  30.653  30.828
  735   HD12  LEU  95          HD12      LEU  95  39.261  30.394  30.854
  736   HD13  LEU  95          HD13      LEU  95  39.928  32.035  30.929
  737   HD21  LEU  95          HD21      LEU  95  38.616  32.467  32.937
  738   HD22  LEU  95          HD22      LEU  95  37.964  30.816  32.944
  739   HD23  LEU  95          HD23      LEU  95  38.777  31.469  34.382
  740    H    LEU  96           H        LEU  96  42.486  27.477  35.309
  741    HA   LEU  96           HA       LEU  96  40.653  25.392  36.106
  742    HB2  LEU  96           HB2      LEU  96  43.442  25.917  37.209
  743    HB3  LEU  96           HB3      LEU  96  42.535  24.413  37.390
  744    HG   LEU  96           HG       LEU  96  43.249  25.380  34.633
  745   HD11  LEU  96          HD11      LEU  96  45.184  23.862  34.755
  746   HD12  LEU  96          HD12      LEU  96  45.344  25.118  35.999
  747   HD13  LEU  96          HD13      LEU  96  44.821  23.490  36.457
  748   HD21  LEU  96          HD21      LEU  96  42.532  22.708  35.920
  749   HD22  LEU  96          HD22      LEU  96  41.508  23.664  34.832
  750   HD23  LEU  96          HD23      LEU  96  43.007  22.927  34.248
  751    H    SER  97           H        SER  97  41.656  28.201  37.985
  752    HA   SER  97           HA       SER  97  41.165  27.458  40.609
  753    HB2  SER  97           HB2      SER  97  40.614  30.043  39.132
  754    HB3  SER  97           HB3      SER  97  40.265  29.868  40.862
  755    HG   SER  97           HG       SER  97  42.808  29.356  39.639
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  12.256  38.777  35.940
    2    H2   GLY   1           H2       GLY   1  13.642  39.457  36.482
    3    H3   GLY   1           H3       GLY   1  12.424  39.155  37.542
    4    HA2  GLY   1           HA2      GLY   1  14.239  37.537  37.726
    5    HA3  GLY   1           HA3      GLY   1  12.668  36.820  37.321
    6    H    ALA   2           H        ALA   2  13.326  35.056  36.202
    7    HA   ALA   2           HA       ALA   2  13.984  35.373  33.426
    8    HB1  ALA   2           HB1      ALA   2  16.303  35.522  34.320
    9    HB2  ALA   2           HB2      ALA   2  16.061  34.007  35.213
   10    HB3  ALA   2           HB3      ALA   2  16.063  34.007  33.437
   11    H    MET   3           H        MET   3  13.351  33.498  32.260
   12    HA   MET   3           HA       MET   3  12.092  31.290  33.762
   13    HB2  MET   3           HB2      MET   3  12.333  31.882  30.787
   14    HB3  MET   3           HB3      MET   3  11.557  30.438  31.453
   15    HG2  MET   3           HG2      MET   3  10.024  31.888  32.778
   16    HG3  MET   3           HG3      MET   3  10.728  33.312  32.004
   17    HE1  MET   3           HE1      MET   3   7.619  32.541  32.167
   18    HE2  MET   3           HE2      MET   3   8.212  34.041  31.413
   19    HE3  MET   3           HE3      MET   3   7.080  32.987  30.535
   20    HA   PRO   4           HA       PRO   4  15.655  28.859  34.070
   21    HB2  PRO   4           HB2      PRO   4  14.757  26.251  34.023
   22    HB3  PRO   4           HB3      PRO   4  14.482  27.388  35.378
   23    HG2  PRO   4           HG2      PRO   4  12.606  26.748  33.078
   24    HG3  PRO   4           HG3      PRO   4  12.232  26.783  34.834
   25    HD2  PRO   4           HD2      PRO   4  11.668  28.900  33.257
   26    HD3  PRO   4           HD3      PRO   4  12.337  29.157  34.898
   27    H    SER   5           H        SER   5  17.321  28.202  32.822
   28    HA   SER   5           HA       SER   5  16.963  26.708  30.315
   29    HB2  SER   5           HB2      SER   5  17.960  29.590  30.318
   30    HB3  SER   5           HB3      SER   5  18.050  28.498  28.919
   31    HG   SER   5           HG       SER   5  15.567  28.609  30.045
   32    H    ILE   6           H        ILE   6  19.390  27.184  29.120
   33    HA   ILE   6           HA       ILE   6  21.068  25.425  30.552
   34    HB   ILE   6           HB       ILE   6  22.730  25.812  28.840
   35   HG12  ILE   6          HG12      ILE   6  20.889  27.975  27.847
   36   HG13  ILE   6          HG13      ILE   6  22.510  28.219  28.450
   37   HG21  ILE   6          HG21      ILE   6  20.013  25.357  27.784
   38   HG22  ILE   6          HG22      ILE   6  21.544  24.870  27.017
   39   HG23  ILE   6          HG23      ILE   6  21.053  24.172  28.559
   40   HD11  ILE   6          HD11      ILE   6  23.384  26.986  26.447
   41   HD12  ILE   6          HD12      ILE   6  21.722  26.862  25.843
   42   HD13  ILE   6          HD13      ILE   6  22.469  28.447  26.056
   43    H    ALA   7           H        ALA   7  20.880  28.909  30.708
   44    HA   ALA   7           HA       ALA   7  23.335  29.717  31.658
   45    HB1  ALA   7           HB1      ALA   7  20.536  30.554  32.540
   46    HB2  ALA   7           HB2      ALA   7  22.021  31.488  32.833
   47    HB3  ALA   7           HB3      ALA   7  21.464  31.209  31.176
   48    H    SER   8           H        SER   8  20.889  27.892  33.553
   49    HA   SER   8           HA       SER   8  22.340  28.127  36.113
   50    HB2  SER   8           HB2      SER   8  20.128  26.319  35.081
   51    HB3  SER   8           HB3      SER   8  20.784  26.234  36.742
   52    HG   SER   8           HG       SER   8  19.045  27.559  36.795
   53    H    MET   9           H        MET   9  22.455  25.829  33.415
   54    HA   MET   9           HA       MET   9  23.828  23.709  34.771
   55    HB2  MET   9           HB2      MET   9  23.947  24.448  31.818
   56    HB3  MET   9           HB3      MET   9  24.376  22.905  32.549
   57    HG2  MET   9           HG2      MET   9  22.067  22.511  33.224
   58    HG3  MET   9           HG3      MET   9  21.579  24.107  32.679
   59    HE1  MET   9           HE1      MET   9  23.319  20.841  31.443
   60    HE2  MET   9           HE2      MET   9  22.890  20.787  29.725
   61    HE3  MET   9           HE3      MET   9  24.073  21.984  30.297
   62    H    ILE  10           H        ILE  10  24.947  26.701  33.286
   63    HA   ILE  10           HA       ILE  10  27.692  26.174  33.008
   64    HB   ILE  10           HB       ILE  10  26.687  28.885  33.906
   65   HG12  ILE  10          HG12      ILE  10  25.094  28.208  32.183
   66   HG13  ILE  10          HG13      ILE  10  26.133  29.507  31.642
   67   HG21  ILE  10          HG21      ILE  10  28.922  27.919  32.081
   68   HG22  ILE  10          HG22      ILE  10  28.442  29.621  32.253
   69   HG23  ILE  10          HG23      ILE  10  29.078  28.723  33.642
   70   HD11  ILE  10          HD11      ILE  10  27.464  27.880  30.295
   71   HD12  ILE  10          HD12      ILE  10  26.381  26.575  30.840
   72   HD13  ILE  10          HD13      ILE  10  25.749  27.910  29.855
   73    H    LYS  11           H        LYS  11  25.876  26.800  35.984
   74    HA   LYS  11           HA       LYS  11  28.193  27.644  37.534
   75    HB2  LYS  11           HB2      LYS  11  25.294  27.050  38.219
   76    HB3  LYS  11           HB3      LYS  11  26.511  27.730  39.328
   77    HG2  LYS  11           HG2      LYS  11  26.852  29.623  37.674
   78    HG3  LYS  11           HG3      LYS  11  25.491  28.975  36.727
   79    HD2  LYS  11           HD2      LYS  11  24.054  29.132  38.730
   80    HD3  LYS  11           HD3      LYS  11  25.427  29.853  39.621
   81    HE2  LYS  11           HE2      LYS  11  25.474  31.591  37.677
   82    HE3  LYS  11           HE3      LYS  11  23.858  31.004  37.273
   83    HZ1  LYS  11           HZ1      LYS  11  23.812  32.957  38.705
   84    HZ2  LYS  11           HZ2      LYS  11  23.140  31.704  39.533
   85    HZ3  LYS  11           HZ3      LYS  11  24.651  32.226  39.881
   86    H    GLY  12           H        GLY  12  27.152  24.549  36.601
   87    HA2  GLY  12           HA2      GLY  12  27.598  23.182  39.111
   88    HA3  GLY  12           HA3      GLY  12  27.259  22.452  37.548
   89    H    ASN  13           H        ASN  13  29.705  23.919  36.406
   90    HA   ASN  13           HA       ASN  13  31.919  22.195  37.454
   91    HB2  ASN  13           HB2      ASN  13  30.842  22.468  34.607
   92    HB3  ASN  13           HB3      ASN  13  32.473  21.933  34.916
   93   HD21  ASN  13          HD21      ASN  13  32.823  19.977  36.155
   94   HD22  ASN  13          HD22      ASN  13  31.627  18.692  35.973
   95    H    LYS  14           H        LYS  14  34.051  22.911  36.718
   96    HA   LYS  14           HA       LYS  14  34.411  25.793  36.885
   97    HB2  LYS  14           HB2      LYS  14  36.045  23.866  37.517
   98    HB3  LYS  14           HB3      LYS  14  36.420  23.815  35.793
   99    HG2  LYS  14           HG2      LYS  14  38.111  25.166  36.554
  100    HG3  LYS  14           HG3      LYS  14  36.936  26.336  35.982
  101    HD2  LYS  14           HD2      LYS  14  37.536  27.266  37.989
  102    HD3  LYS  14           HD3      LYS  14  36.127  26.328  38.511
  103    HE2  LYS  14           HE2      LYS  14  37.615  24.552  39.375
  104    HE3  LYS  14           HE3      LYS  14  39.018  25.360  38.671
  105    HZ1  LYS  14           HZ1      LYS  14  38.457  27.312  40.146
  106    HZ2  LYS  14           HZ2      LYS  14  37.384  26.349  40.938
  107    HZ3  LYS  14           HZ3      LYS  14  38.984  25.984  40.951
  108    H    VAL  15           H        VAL  15  34.310  23.504  34.174
  109    HA   VAL  15           HA       VAL  15  33.850  25.770  32.307
  110    HB   VAL  15           HB       VAL  15  35.395  23.239  31.660
  111   HG11  VAL  15          HG11      VAL  15  35.884  24.386  29.509
  112   HG12  VAL  15          HG12      VAL  15  34.170  24.033  29.689
  113   HG13  VAL  15          HG13      VAL  15  34.764  25.684  29.951
  114   HG21  VAL  15          HG21      VAL  15  36.245  26.100  32.220
  115   HG22  VAL  15          HG22      VAL  15  36.855  24.603  32.945
  116   HG23  VAL  15          HG23      VAL  15  37.245  25.002  31.260
  117    H    VAL  16           H        VAL  16  32.175  25.612  30.916
  118    HA   VAL  16           HA       VAL  16  30.765  23.008  30.603
  119    HB   VAL  16           HB       VAL  16  29.392  25.631  31.252
  120   HG11  VAL  16          HG11      VAL  16  28.056  24.474  29.544
  121   HG12  VAL  16          HG12      VAL  16  28.207  22.937  30.426
  122   HG13  VAL  16          HG13      VAL  16  27.284  24.287  31.119
  123   HG21  VAL  16          HG21      VAL  16  28.459  24.170  33.129
  124   HG22  VAL  16          HG22      VAL  16  29.598  22.915  32.638
  125   HG23  VAL  16          HG23      VAL  16  30.189  24.479  33.250
  126    H    VAL  17           H        VAL  17  30.151  22.535  28.537
  127    HA   VAL  17           HA       VAL  17  30.528  24.633  26.426
  128    HB   VAL  17           HB       VAL  17  31.634  21.803  26.573
  129   HG11  VAL  17          HG11      VAL  17  30.781  22.054  24.267
  130   HG12  VAL  17          HG12      VAL  17  31.568  23.649  24.142
  131   HG13  VAL  17          HG13      VAL  17  32.534  22.162  24.277
  132   HG21  VAL  17          HG21      VAL  17  32.900  24.533  26.159
  133   HG22  VAL  17          HG22      VAL  17  33.041  23.500  27.598
  134   HG23  VAL  17          HG23      VAL  17  33.753  22.984  26.066
  135    H    PHE  18           H        PHE  18  29.246  24.494  24.584
  136    HA   PHE  18           HA       PHE  18  27.120  22.369  24.591
  137    HB2  PHE  18           HB2      PHE  18  26.820  25.162  23.448
  138    HB3  PHE  18           HB3      PHE  18  25.612  23.894  23.503
  139    HD1  PHE  18           HD2      PHE  18  24.664  23.152  25.710
  140    HD2  PHE  18           HD1      PHE  18  27.244  26.582  25.363
  141    HE1  PHE  18           HE2      PHE  18  23.932  23.929  27.957
  142    HE2  PHE  18           HE1      PHE  18  26.466  27.387  27.583
  143    HZ   PHE  18           HZ       PHE  18  24.779  26.099  28.847
  144    H    SER  19           H        SER  19  27.299  20.994  22.960
  145    HA   SER  19           HA       SER  19  28.750  21.782  20.460
  146    HB2  SER  19           HB2      SER  19  28.935  19.196  22.039
  147    HB3  SER  19           HB3      SER  19  29.534  19.378  20.375
  148    HG   SER  19           HG       SER  19  31.164  19.678  21.853
  149    H    TRP  20           H        TRP  20  28.321  20.438  18.598
  150    HA   TRP  20           HA       TRP  20  25.618  19.191  18.495
  151    HB2  TRP  20           HB2      TRP  20  26.608  21.534  16.953
  152    HB3  TRP  20           HB3      TRP  20  26.030  20.229  15.949
  153    HD1  TRP  20           HD1      TRP  20  24.283  21.009  19.255
  154    HE1  TRP  20           HE1      TRP  20  21.826  21.576  18.742
  155    HE3  TRP  20           HE3      TRP  20  24.554  21.332  14.154
  156    HZ2  TRP  20           HZ2      TRP  20  20.252  22.309  16.458
  157    HZ3  TRP  20           HZ3      TRP  20  22.540  21.930  12.828
  158    HH2  TRP  20           HH2      TRP  20  20.388  22.416  13.966
  159    H    VAL  21           H        VAL  21  25.699  17.191  17.757
  160    HA   VAL  21           HA       VAL  21  28.199  16.180  16.637
  161    HB   VAL  21           HB       VAL  21  27.042  13.936  16.710
  162   HG11  VAL  21          HG11      VAL  21  28.773  14.695  18.303
  163   HG12  VAL  21          HG12      VAL  21  27.530  15.463  19.309
  164   HG13  VAL  21          HG13      VAL  21  27.552  13.698  19.103
  165   HG21  VAL  21          HG21      VAL  21  25.166  15.345  18.642
  166   HG22  VAL  21          HG22      VAL  21  24.693  14.821  17.010
  167   HG23  VAL  21          HG23      VAL  21  25.206  13.626  18.200
  168    H    THR  22           H        THR  22  27.138  15.684  13.226
  169    HA   THR  22           HA       THR  22  29.408  15.876  15.183
  170    HB   THR  22           HB       THR  22  29.454  15.067  12.289
  171    HG1  THR  22           HG1      THR  22  28.663  13.356  13.274
  172   HG21  THR  22          HG21      THR  22  31.603  15.040  14.458
  173   HG22  THR  22          HG22      THR  22  31.597  16.057  12.995
  174   HG23  THR  22          HG23      THR  22  31.754  14.322  12.843
  175    H    CYS  23           H        CYS  23  30.679  17.590  15.224
  176    HA   CYS  23           HA       CYS  23  30.676  19.552  12.974
  177    HB2  CYS  23           HB2      CYS  23  29.162  20.418  14.672
  178    HB3  CYS  23           HB3      CYS  23  30.413  20.248  15.915
  179    HG   CYS  23           HG       CYS  23  29.989  22.819  14.987
  180    HA   PRO  24           HA       PRO  24  34.952  18.300  13.690
  181    HB2  PRO  24           HB2      PRO  24  35.410  20.243  11.429
  182    HB3  PRO  24           HB3      PRO  24  36.132  18.624  11.688
  183    HG2  PRO  24           HG2      PRO  24  34.086  18.901   9.969
  184    HG3  PRO  24           HG3      PRO  24  34.069  17.538  11.138
  185    HD2  PRO  24           HD2      PRO  24  32.611  20.192  11.332
  186    HD3  PRO  24           HD3      PRO  24  32.001  18.536  11.628
  187    H    TYR  25           H        TYR  25  33.743  21.370  14.363
  188    HA   TYR  25           HA       TYR  25  36.245  22.437  15.538
  189    HB2  TYR  25           HB2      TYR  25  33.329  23.243  15.842
  190    HB3  TYR  25           HB3      TYR  25  34.714  24.177  16.408
  191    HD1  TYR  25           HD1      TYR  25  36.555  23.910  13.990
  192    HD2  TYR  25           HD2      TYR  25  32.343  24.812  14.352
  193    HE1  TYR  25           HE1      TYR  25  36.638  25.199  11.870
  194    HE2  TYR  25           HE2      TYR  25  32.438  26.080  12.221
  195    HH   TYR  25           HH       TYR  25  35.449  26.633  10.426
  196    H    CYS  26           H        CYS  26  33.242  20.913  16.659
  197    HA   CYS  26           HA       CYS  26  33.472  21.550  19.409
  198    HB2  CYS  26           HB2      CYS  26  32.107  19.482  17.707
  199    HB3  CYS  26           HB3      CYS  26  32.073  19.306  19.432
  200    HG   CYS  26           HG       CYS  26  30.865  21.454  19.987
  201    H    VAL  27           H        VAL  27  34.437  18.653  17.684
  202    HA   VAL  27           HA       VAL  27  35.726  17.031  19.493
  203    HB   VAL  27           HB       VAL  27  35.356  16.787  17.216
  204   HG11  VAL  27          HG11      VAL  27  35.862  18.790  16.299
  205   HG12  VAL  27          HG12      VAL  27  37.599  18.288  16.220
  206   HG13  VAL  27          HG13      VAL  27  36.354  17.372  15.362
  207   HG21  VAL  27          HG21      VAL  27  37.304  15.372  16.614
  208   HG22  VAL  27          HG22      VAL  27  38.312  16.286  17.757
  209   HG23  VAL  27          HG23      VAL  27  36.998  15.246  18.357
  210    H    ARG  28           H        ARG  28  37.078  19.418  17.613
  211    HA   ARG  28           HA       ARG  28  39.743  19.490  18.607
  212    HB2  ARG  28           HB2      ARG  28  38.616  22.215  17.901
  213    HB3  ARG  28           HB3      ARG  28  40.240  21.588  17.674
  214    HG2  ARG  28           HG2      ARG  28  39.150  19.952  15.963
  215    HG3  ARG  28           HG3      ARG  28  37.753  21.042  16.105
  216    HD2  ARG  28           HD2      ARG  28  38.617  22.253  14.465
  217    HD3  ARG  28           HD3      ARG  28  39.795  22.834  15.636
  218    HE   ARG  28           HE       ARG  28  41.447  21.597  14.532
  219   HH11  ARG  28          HH12      ARG  28  38.356  20.259  13.371
  220   HH12  ARG  28          HH11      ARG  28  39.246  19.408  12.097
  221   HH21  ARG  28          HH22      ARG  28  42.318  20.400  13.001
  222   HH22  ARG  28          HH21      ARG  28  41.288  19.447  11.912
  223    H    ALA  29           H        ALA  29  37.123  21.568  19.888
  224    HA   ALA  29           HA       ALA  29  38.723  22.513  22.120
  225    HB1  ALA  29           HB1      ALA  29  36.592  23.346  23.011
  226    HB2  ALA  29           HB2      ALA  29  36.810  23.806  21.302
  227    HB3  ALA  29           HB3      ALA  29  35.705  22.477  21.737
  228    H    GLU  30           H        GLU  30  36.155  19.955  21.927
  229    HA   GLU  30           HA       GLU  30  36.182  19.250  24.691
  230    HB2  GLU  30           HB2      GLU  30  35.589  17.593  22.199
  231    HB3  GLU  30           HB3      GLU  30  35.268  17.064  23.853
  232    HG2  GLU  30           HG2      GLU  30  33.674  18.902  24.190
  233    HG3  GLU  30           HG3      GLU  30  33.999  19.542  22.579
  234    H    LYS  31           H        LYS  31  38.243  18.055  22.098
  235    HA   LYS  31           HA       LYS  31  39.518  16.054  23.653
  236    HB2  LYS  31           HB2      LYS  31  39.488  16.179  21.169
  237    HB3  LYS  31           HB3      LYS  31  40.406  17.688  21.216
  238    HG2  LYS  31           HG2      LYS  31  42.355  16.390  22.192
  239    HG3  LYS  31           HG3      LYS  31  41.385  14.923  21.994
  240    HD2  LYS  31           HD2      LYS  31  42.760  15.039  20.065
  241    HD3  LYS  31           HD3      LYS  31  41.174  15.535  19.508
  242    HE2  LYS  31           HE2      LYS  31  41.872  17.617  18.949
  243    HE3  LYS  31           HE3      LYS  31  42.766  17.842  20.470
  244    HZ1  LYS  31           HZ1      LYS  31  44.561  16.508  19.558
  245    HZ2  LYS  31           HZ2      LYS  31  43.778  16.283  18.144
  246    HZ3  LYS  31           HZ3      LYS  31  44.286  17.785  18.560
  247    H    LEU  32           H        LEU  32  40.349  19.414  23.035
  248    HA   LEU  32           HA       LEU  32  42.873  19.541  24.397
  249    HB2  LEU  32           HB2      LEU  32  41.870  21.028  22.623
  250    HB3  LEU  32           HB3      LEU  32  40.773  21.625  23.874
  251    HG   LEU  32           HG       LEU  32  42.615  23.131  23.255
  252   HD11  LEU  32          HD11      LEU  32  41.528  23.299  25.513
  253   HD12  LEU  32          HD12      LEU  32  42.912  22.391  26.175
  254   HD13  LEU  32          HD13      LEU  32  43.169  23.957  25.400
  255   HD21  LEU  32          HD21      LEU  32  44.337  21.406  22.907
  256   HD22  LEU  32          HD22      LEU  32  44.870  22.722  23.979
  257   HD23  LEU  32          HD23      LEU  32  44.429  21.140  24.658
  258    H    LEU  33           H        LEU  33  39.523  20.262  25.429
  259    HA   LEU  33           HA       LEU  33  40.160  21.328  27.962
  260    HB2  LEU  33           HB2      LEU  33  37.689  19.847  26.938
  261    HB3  LEU  33           HB3      LEU  33  37.721  20.659  28.498
  262    HG   LEU  33           HG       LEU  33  38.258  22.093  25.871
  263   HD11  LEU  33          HD11      LEU  33  36.119  22.987  25.836
  264   HD12  LEU  33          HD12      LEU  33  35.933  21.236  25.968
  265   HD13  LEU  33          HD13      LEU  33  35.693  22.278  27.398
  266   HD21  LEU  33          HD21      LEU  33  39.207  23.293  27.769
  267   HD22  LEU  33          HD22      LEU  33  37.765  24.135  27.194
  268   HD23  LEU  33          HD23      LEU  33  37.663  23.129  28.652
  269    H    HIS  34           H        HIS  34  39.454  17.967  27.090
  270    HA   HIS  34           HA       HIS  34  39.927  16.855  29.717
  271    HB2  HIS  34           HB2      HIS  34  39.637  15.720  26.913
  272    HB3  HIS  34           HB3      HIS  34  40.103  14.708  28.274
  273    HD1  HIS  34           HD1      HIS  34  38.295  14.512  30.327
  274    HD2  HIS  34           HD2      HIS  34  36.998  16.109  26.660
  275    HE1  HIS  34           HE1      HIS  34  35.744  14.442  30.374
  276    H    ALA  35           H        ALA  35  42.091  17.511  26.862
  277    HA   ALA  35           HA       ALA  35  44.226  15.854  27.964
  278    HB1  ALA  35           HB1      ALA  35  44.276  18.095  25.894
  279    HB2  ALA  35           HB2      ALA  35  45.592  16.950  26.225
  280    HB3  ALA  35           HB3      ALA  35  44.056  16.362  25.569
  281    H    ARG  36           H        ARG  36  43.280  19.186  28.328
  282    HA   ARG  36           HA       ARG  36  45.716  19.876  29.890
  283    HB2  ARG  36           HB2      ARG  36  43.789  21.607  28.359
  284    HB3  ARG  36           HB3      ARG  36  45.238  22.098  29.234
  285    HG2  ARG  36           HG2      ARG  36  45.242  20.205  26.840
  286    HG3  ARG  36           HG3      ARG  36  45.457  21.939  26.720
  287    HD2  ARG  36           HD2      ARG  36  47.566  21.851  27.936
  288    HD3  ARG  36           HD3      ARG  36  47.304  20.158  28.356
  289    HE   ARG  36           HE       ARG  36  48.404  19.620  26.429
  290   HH11  ARG  36          HH22      ARG  36  47.132  22.827  25.722
  291   HH12  ARG  36          HH21      ARG  36  47.243  22.513  23.977
  292   HH21  ARG  36          HH12      ARG  36  48.753  19.481  24.244
  293   HH22  ARG  36          HH11      ARG  36  48.464  20.892  23.263
  294    H    THR  37           H        THR  37  43.174  18.771  30.878
  295    HA   THR  37           HA       THR  37  42.617  18.371  33.020
  296    HB   THR  37           HB       THR  37  43.636  20.793  34.264
  297    HG1  THR  37           HG1      THR  37  45.462  20.716  33.274
  298   HG21  THR  37          HG21      THR  37  42.901  18.818  35.605
  299   HG22  THR  37          HG22      THR  37  44.604  19.192  35.900
  300   HG23  THR  37          HG23      THR  37  44.163  17.834  34.840
  301    H    LYS  38           H        LYS  38  40.903  20.182  31.313
  302    HA   LYS  38           HA       LYS  38  39.740  22.034  33.300
  303    HB2  LYS  38           HB2      LYS  38  39.132  21.375  30.433
  304    HB3  LYS  38           HB3      LYS  38  37.903  22.124  31.423
  305    HG2  LYS  38           HG2      LYS  38  39.196  23.842  30.187
  306    HG3  LYS  38           HG3      LYS  38  39.175  24.020  31.924
  307    HD2  LYS  38           HD2      LYS  38  41.264  24.658  31.362
  308    HD3  LYS  38           HD3      LYS  38  41.507  23.049  31.991
  309    HE2  LYS  38           HE2      LYS  38  41.897  22.130  29.810
  310    HE3  LYS  38           HE3      LYS  38  41.361  23.642  29.019
  311    HZ1  LYS  38           HZ1      LYS  38  43.273  24.730  30.288
  312    HZ2  LYS  38           HZ2      LYS  38  43.784  23.289  30.712
  313    HZ3  LYS  38           HZ3      LYS  38  43.808  23.727  29.133
  314    H    ASP  39           H        ASP  39  38.711  21.287  34.925
  315    HA   ASP  39           HA       ASP  39  36.892  19.108  34.956
  316    HB2  ASP  39           HB2      ASP  39  37.524  20.372  37.041
  317    HB3  ASP  39           HB3      ASP  39  36.613  21.747  36.473
  318    H    ILE  40           H        ILE  40  35.608  18.835  33.335
  319    HA   ILE  40           HA       ILE  40  34.078  21.108  32.194
  320    HB   ILE  40           HB       ILE  40  36.155  20.444  31.025
  321   HG12  ILE  40          HG12      ILE  40  33.616  21.148  29.922
  322   HG13  ILE  40          HG13      ILE  40  35.231  21.603  29.449
  323   HG21  ILE  40          HG21      ILE  40  36.291  18.446  29.667
  324   HG22  ILE  40          HG22      ILE  40  36.052  18.012  31.350
  325   HG23  ILE  40          HG23      ILE  40  34.695  17.902  30.224
  326   HD11  ILE  40          HD11      ILE  40  33.792  19.112  28.461
  327   HD12  ILE  40          HD12      ILE  40  33.902  20.651  27.595
  328   HD13  ILE  40          HD13      ILE  40  35.374  19.719  27.897
  329    H    THR  41           H        THR  41  32.091  20.869  31.404
  330    HA   THR  41           HA       THR  41  30.925  18.157  30.998
  331    HB   THR  41           HB       THR  41  29.841  20.368  32.691
  332    HG1  THR  41           HG1      THR  41  29.897  18.816  33.979
  333   HG21  THR  41          HG21      THR  41  27.538  19.482  32.505
  334   HG22  THR  41          HG22      THR  41  28.023  18.599  31.033
  335   HG23  THR  41          HG23      THR  41  28.082  20.386  31.094
  336    H    VAL  42           H        VAL  42  30.625  18.040  28.820
  337    HA   VAL  42           HA       VAL  42  29.531  20.406  27.415
  338    HB   VAL  42           HB       VAL  42  31.206  19.869  26.073
  339   HG11  VAL  42          HG11      VAL  42  32.201  18.164  27.191
  340   HG12  VAL  42          HG12      VAL  42  30.956  16.967  26.678
  341   HG13  VAL  42          HG13      VAL  42  32.077  17.692  25.498
  342   HG21  VAL  42          HG21      VAL  42  29.190  19.769  24.691
  343   HG22  VAL  42          HG22      VAL  42  30.502  18.768  24.060
  344   HG23  VAL  42          HG23      VAL  42  29.150  17.998  24.901
  345    H    HIS  43           H        HIS  43  27.592  20.523  26.687
  346    HA   HIS  43           HA       HIS  43  25.728  18.209  26.943
  347    HB2  HIS  43           HB2      HIS  43  25.248  20.368  28.165
  348    HB3  HIS  43           HB3      HIS  43  25.153  21.172  26.620
  349    HD1  HIS  43           HD1      HIS  43  23.449  17.715  26.871
  350    HD2  HIS  43           HD2      HIS  43  22.571  21.829  27.182
  351    HE1  HIS  43           HE1      HIS  43  20.924  17.916  26.911
  352    H    TYR  44           H        TYR  44  24.982  17.262  25.135
  353    HA   TYR  44           HA       TYR  44  25.640  18.443  22.504
  354    HB2  TYR  44           HB2      TYR  44  24.621  15.700  23.257
  355    HB3  TYR  44           HB3      TYR  44  25.053  16.233  21.626
  356    HD1  TYR  44           HD2      TYR  44  27.472  17.309  21.380
  357    HD2  TYR  44           HD1      TYR  44  26.281  14.661  24.575
  358    HE1  TYR  44           HE2      TYR  44  29.860  16.904  21.937
  359    HE2  TYR  44           HE1      TYR  44  28.675  14.223  25.094
  360    HH   TYR  44           HH       TYR  44  31.354  15.854  23.378
  361    H    VAL  45           H        VAL  45  24.211  20.165  22.579
  362    HA   VAL  45           HA       VAL  45  21.354  19.827  22.695
  363    HB   VAL  45           HB       VAL  45  21.198  22.160  21.893
  364   HG11  VAL  45          HG11      VAL  45  22.009  23.172  23.926
  365   HG12  VAL  45          HG12      VAL  45  21.331  21.589  24.300
  366   HG13  VAL  45          HG13      VAL  45  23.101  21.799  24.221
  367   HG21  VAL  45          HG21      VAL  45  23.174  22.466  20.545
  368   HG22  VAL  45          HG22      VAL  45  23.246  23.565  21.908
  369   HG23  VAL  45          HG23      VAL  45  24.245  22.101  21.919
  370    H    ASP  46           H        ASP  46  23.088  18.426  20.503
  371    HA   ASP  46           HA       ASP  46  21.034  18.617  18.331
  372    HB2  ASP  46           HB2      ASP  46  23.465  18.714  17.683
  373    HB3  ASP  46           HB3      ASP  46  23.680  17.110  18.359
  374    H    LYS  47           H        LYS  47  22.535  16.405  20.708
  375    HA   LYS  47           HA       LYS  47  21.010  14.021  19.988
  376    HB2  LYS  47           HB2      LYS  47  22.551  14.770  22.514
  377    HB3  LYS  47           HB3      LYS  47  21.855  13.192  22.220
  378    HG2  LYS  47           HG2      LYS  47  23.836  14.306  20.237
  379    HG3  LYS  47           HG3      LYS  47  24.421  13.700  21.774
  380    HD2  LYS  47           HD2      LYS  47  22.750  12.004  19.877
  381    HD3  LYS  47           HD3      LYS  47  24.519  12.082  19.874
  382    HE2  LYS  47           HE2      LYS  47  24.469  11.449  22.344
  383    HE3  LYS  47           HE3      LYS  47  22.750  11.085  22.140
  384    HZ1  LYS  47           HZ1      LYS  47  24.989   9.775  20.663
  385    HZ2  LYS  47           HZ2      LYS  47  24.081   9.094  21.843
  386    HZ3  LYS  47           HZ3      LYS  47  23.419   9.478  20.382
  387    H    MET  48           H        MET  48  20.683  16.642  22.367
  388    HA   MET  48           HA       MET  48  18.127  15.519  23.362
  389    HB2  MET  48           HB2      MET  48  19.896  16.340  24.887
  390    HB3  MET  48           HB3      MET  48  19.694  17.972  24.250
  391    HG2  MET  48           HG2      MET  48  17.432  16.349  25.489
  392    HG3  MET  48           HG3      MET  48  18.507  17.355  26.450
  393    HE1  MET  48           HE1      MET  48  17.571  20.956  25.647
  394    HE2  MET  48           HE2      MET  48  18.408  19.831  26.730
  395    HE3  MET  48           HE3      MET  48  18.982  20.045  25.063
  396    H    SER  49           H        SER  49  16.297  15.980  22.311
  397    HA   SER  49           HA       SER  49  16.242  17.532  19.998
  398    HB2  SER  49           HB2      SER  49  14.786  15.570  20.611
  399    HB3  SER  49           HB3      SER  49  13.786  16.688  21.556
  400    HG   SER  49           HG       SER  49  12.937  16.504  19.534
  401    H    GLU  50           H        GLU  50  15.274  18.678  23.230
  402    HA   GLU  50           HA       GLU  50  14.026  21.124  22.232
  403    HB2  GLU  50           HB2      GLU  50  13.618  19.989  24.510
  404    HB3  GLU  50           HB3      GLU  50  15.160  20.689  25.021
  405    HG2  GLU  50           HG2      GLU  50  14.316  22.947  24.664
  406    HG3  GLU  50           HG3      GLU  50  12.826  22.313  23.967
  407    H    GLY  51           H        GLY  51  17.257  20.079  22.503
  408    HA2  GLY  51           HA2      GLY  51  18.780  22.226  23.231
  409    HA3  GLY  51           HA3      GLY  51  19.222  21.029  22.019
  410    H    GLU  52           H        GLU  52  17.018  22.034  20.111
  411    HA   GLU  52           HA       GLU  52  18.545  24.128  18.767
  412    HB2  GLU  52           HB2      GLU  52  15.847  22.852  18.412
  413    HB3  GLU  52           HB3      GLU  52  16.095  24.421  17.663
  414    HG2  GLU  52           HG2      GLU  52  18.129  22.231  17.203
  415    HG3  GLU  52           HG3      GLU  52  16.606  22.233  16.323
  416    H    GLN  53           H        GLN  53  15.853  24.221  21.127
  417    HA   GLN  53           HA       GLN  53  15.479  27.102  20.871
  418    HB2  GLN  53           HB2      GLN  53  13.707  25.413  21.468
  419    HB3  GLN  53           HB3      GLN  53  14.469  25.242  23.058
  420    HG2  GLN  53           HG2      GLN  53  14.037  27.593  23.561
  421    HG3  GLN  53           HG3      GLN  53  13.520  27.902  21.902
  422   HE21  GLN  53          HE21      GLN  53  11.677  28.825  23.330
  423   HE22  GLN  53          HE22      GLN  53  10.315  27.734  23.487
  424    H    LEU  54           H        LEU  54  17.356  24.960  23.004
  425    HA   LEU  54           HA       LEU  54  18.322  27.109  24.721
  426    HB2  LEU  54           HB2      LEU  54  19.375  24.285  24.257
  427    HB3  LEU  54           HB3      LEU  54  20.016  25.416  25.442
  428    HG   LEU  54           HG       LEU  54  18.664  23.924  26.620
  429   HD11  LEU  54          HD11      LEU  54  18.395  26.478  27.050
  430   HD12  LEU  54          HD12      LEU  54  16.783  26.282  26.353
  431   HD13  LEU  54          HD13      LEU  54  17.246  25.355  27.802
  432   HD21  LEU  54          HD21      LEU  54  17.266  23.063  24.770
  433   HD22  LEU  54          HD22      LEU  54  16.396  23.365  26.276
  434   HD23  LEU  54          HD23      LEU  54  16.219  24.493  24.931
  435    H    ARG  55           H        ARG  55  19.559  25.590  21.735
  436    HA   ARG  55           HA       ARG  55  21.909  27.217  21.417
  437    HB2  ARG  55           HB2      ARG  55  21.664  25.153  20.309
  438    HB3  ARG  55           HB3      ARG  55  20.049  25.541  19.726
  439    HG2  ARG  55           HG2      ARG  55  20.799  26.976  18.086
  440    HG3  ARG  55           HG3      ARG  55  22.492  26.940  18.654
  441    HD2  ARG  55           HD2      ARG  55  22.714  24.586  18.113
  442    HD3  ARG  55           HD3      ARG  55  20.977  24.406  17.895
  443    HE   ARG  55           HE       ARG  55  21.051  25.627  15.842
  444   HH11  ARG  55          HH12      ARG  55  24.307  24.587  16.823
  445   HH12  ARG  55          HH11      ARG  55  24.811  24.583  15.152
  446   HH21  ARG  55          HH22      ARG  55  21.822  25.732  13.923
  447   HH22  ARG  55          HH21      ARG  55  23.511  25.386  13.569
  448    H    GLY  56           H        GLY  56  18.461  27.766  20.704
  449    HA2  GLY  56           HA2      GLY  56  18.661  30.413  19.661
  450    HA3  GLY  56           HA3      GLY  56  17.310  29.751  20.582
  451    H    GLU  57           H        GLU  57  18.772  29.314  23.164
  452    HA   GLU  57           HA       GLU  57  18.771  32.004  24.207
  453    HB2  GLU  57           HB2      GLU  57  19.947  29.484  25.428
  454    HB3  GLU  57           HB3      GLU  57  19.924  31.036  26.207
  455    HG2  GLU  57           HG2      GLU  57  17.543  29.305  25.508
  456    HG3  GLU  57           HG3      GLU  57  18.151  29.824  27.076
  457    H    ILE  58           H        ILE  58  21.359  29.926  22.938
  458    HA   ILE  58           HA       ILE  58  23.515  31.756  23.568
  459    HB   ILE  58           HB       ILE  58  23.434  29.634  21.388
  460   HG12  ILE  58          HG12      ILE  58  24.424  29.369  24.266
  461   HG13  ILE  58          HG13      ILE  58  22.924  28.681  23.648
  462   HG21  ILE  58          HG21      ILE  58  25.294  31.338  21.216
  463   HG22  ILE  58          HG22      ILE  58  25.851  30.816  22.820
  464   HG23  ILE  58          HG23      ILE  58  25.844  29.692  21.443
  465   HD11  ILE  58          HD11      ILE  58  24.236  27.315  22.009
  466   HD12  ILE  58          HD12      ILE  58  25.720  27.865  22.823
  467   HD13  ILE  58          HD13      ILE  58  24.519  26.925  23.717
  468    H    TYR  59           H        TYR  59  21.583  31.208  20.539
  469    HA   TYR  59           HA       TYR  59  22.992  33.152  19.062
  470    HB2  TYR  59           HB2      TYR  59  21.344  31.322  18.264
  471    HB3  TYR  59           HB3      TYR  59  20.108  32.564  18.454
  472    HD1  TYR  59           HD2      TYR  59  20.537  34.855  17.207
  473    HD2  TYR  59           HD1      TYR  59  22.796  31.303  16.459
  474    HE1  TYR  59           HE2      TYR  59  21.357  35.836  15.076
  475    HE2  TYR  59           HE1      TYR  59  23.640  32.234  14.329
  476    HH   TYR  59           HH       TYR  59  22.747  35.599  13.305
  477    H    GLN  60           H        GLN  60  19.899  33.641  20.891
  478    HA   GLN  60           HA       GLN  60  19.590  36.334  19.990
  479    HB2  GLN  60           HB2      GLN  60  18.584  35.003  22.523
  480    HB3  GLN  60           HB3      GLN  60  18.064  36.586  21.937
  481    HG2  GLN  60           HG2      GLN  60  17.696  33.969  20.400
  482    HG3  GLN  60           HG3      GLN  60  16.478  34.752  21.392
  483   HE21  GLN  60          HE21      GLN  60  15.736  36.996  20.686
  484   HE22  GLN  60          HE22      GLN  60  15.819  37.343  18.961
  485    H    ALA  61           H        ALA  61  21.608  35.081  22.644
  486    HA   ALA  61           HA       ALA  61  22.280  37.788  23.594
  487    HB1  ALA  61           HB1      ALA  61  23.723  36.540  25.168
  488    HB2  ALA  61           HB2      ALA  61  22.044  35.967  25.187
  489    HB3  ALA  61           HB3      ALA  61  23.294  35.022  24.349
  490    H    TYR  62           H        TYR  62  24.000  35.193  21.760
  491    HA   TYR  62           HA       TYR  62  26.352  37.010  21.493
  492    HB2  TYR  62           HB2      TYR  62  26.280  33.996  21.345
  493    HB3  TYR  62           HB3      TYR  62  27.697  35.029  21.454
  494    HD1  TYR  62           HD2      TYR  62  27.883  36.566  23.609
  495    HD2  TYR  62           HD1      TYR  62  25.380  33.077  23.314
  496    HE1  TYR  62           HE2      TYR  62  27.762  36.431  26.098
  497    HE2  TYR  62           HE1      TYR  62  25.233  32.959  25.796
  498    HH   TYR  62           HH       TYR  62  25.810  33.936  27.780
  499    H    LYS  63           H        LYS  63  23.870  36.022  19.531
  500    HA   LYS  63           HA       LYS  63  23.531  35.453  17.426
  501    HB2  LYS  63           HB2      LYS  63  25.109  38.015  17.212
  502    HB3  LYS  63           HB3      LYS  63  24.300  37.249  15.840
  503    HG2  LYS  63           HG2      LYS  63  22.679  38.657  16.482
  504    HG3  LYS  63           HG3      LYS  63  22.162  37.195  17.279
  505    HD2  LYS  63           HD2      LYS  63  23.075  38.144  19.447
  506    HD3  LYS  63           HD3      LYS  63  23.517  39.617  18.554
  507    HE2  LYS  63           HE2      LYS  63  21.067  39.759  17.809
  508    HE3  LYS  63           HE3      LYS  63  20.731  38.429  18.923
  509    HZ1  LYS  63           HZ1      LYS  63  21.610  41.173  19.622
  510    HZ2  LYS  63           HZ2      LYS  63  20.252  40.382  20.114
  511    HZ3  LYS  63           HZ3      LYS  63  21.723  39.950  20.693
  512    H    HIS  64           H        HIS  64  25.376  33.809  18.389
  513    HA   HIS  64           HA       HIS  64  26.174  32.561  15.835
  514    HB2  HIS  64           HB2      HIS  64  27.745  32.396  18.452
  515    HB3  HIS  64           HB3      HIS  64  27.979  31.343  17.065
  516    HD1  HIS  64           HD1      HIS  64  28.446  35.095  17.930
  517    HD2  HIS  64           HD2      HIS  64  29.778  32.039  15.367
  518    HE1  HIS  64           HE1      HIS  64  30.550  35.978  16.773
  519    H    GLU  65           H        GLU  65  25.721  30.229  15.923
  520    HA   GLU  65           HA       GLU  65  23.781  29.505  18.090
  521    HB2  GLU  65           HB2      GLU  65  23.298  27.605  16.374
  522    HB3  GLU  65           HB3      GLU  65  22.559  29.179  16.246
  523    HG2  GLU  65           HG2      GLU  65  23.192  28.314  14.066
  524    HG3  GLU  65           HG3      GLU  65  23.977  29.842  14.438
  525    H    THR  66           H        THR  66  26.639  28.174  16.399
  526    HA   THR  66           HA       THR  66  27.579  26.973  18.935
  527    HB   THR  66           HB       THR  66  26.999  25.159  16.581
  528    HG1  THR  66           HG1      THR  66  25.472  25.923  18.605
  529   HG21  THR  66          HG21      THR  66  27.610  23.334  18.149
  530   HG22  THR  66          HG22      THR  66  28.101  24.533  19.355
  531   HG23  THR  66          HG23      THR  66  28.985  24.383  17.805
  532    H    VAL  67           H        VAL  67  29.742  26.820  18.929
  533    HA   VAL  67           HA       VAL  67  31.265  27.419  16.441
  534    HB   VAL  67           HB       VAL  67  31.570  28.845  19.101
  535   HG11  VAL  67          HG11      VAL  67  33.142  29.177  16.515
  536   HG12  VAL  67          HG12      VAL  67  33.223  30.267  17.913
  537   HG13  VAL  67          HG13      VAL  67  33.787  28.605  18.074
  538   HG21  VAL  67          HG21      VAL  67  29.657  29.709  17.909
  539   HG22  VAL  67          HG22      VAL  67  30.983  30.860  17.764
  540   HG23  VAL  67          HG23      VAL  67  30.588  29.796  16.397
  541    HA   PRO  68           HA       PRO  68  30.226  25.367  19.713
  542    HB2  PRO  68           HB2      PRO  68  31.321  24.347  21.967
  543    HB3  PRO  68           HB3      PRO  68  31.114  23.370  20.492
  544    HG2  PRO  68           HG2      PRO  68  33.608  24.859  21.400
  545    HG3  PRO  68           HG3      PRO  68  33.469  23.132  20.942
  546    HD2  PRO  68           HD2      PRO  68  34.281  24.981  19.143
  547    HD3  PRO  68           HD3      PRO  68  33.159  23.688  18.639
  548    H    ALA  69           H        ALA  69  29.516  26.169  21.817
  549    HA   ALA  69           HA       ALA  69  30.764  28.791  22.502
  550    HB1  ALA  69           HB1      ALA  69  28.353  28.807  21.979
  551    HB2  ALA  69           HB2      ALA  69  28.065  27.586  23.243
  552    HB3  ALA  69           HB3      ALA  69  28.643  29.208  23.683
  553    H    ILE  70           H        ILE  70  31.914  29.011  24.325
  554    HA   ILE  70           HA       ILE  70  32.175  26.673  26.168
  555    HB   ILE  70           HB       ILE  70  34.295  28.564  25.080
  556   HG12  ILE  70          HG12      ILE  70  34.324  25.597  24.504
  557   HG13  ILE  70          HG13      ILE  70  33.348  26.648  23.495
  558   HG21  ILE  70          HG21      ILE  70  35.928  27.038  26.197
  559   HG22  ILE  70          HG22      ILE  70  34.879  27.867  27.340
  560   HG23  ILE  70          HG23      ILE  70  34.573  26.162  26.936
  561   HD11  ILE  70          HD11      ILE  70  35.549  26.317  22.494
  562   HD12  ILE  70          HD12      ILE  70  35.282  28.019  22.893
  563   HD13  ILE  70          HD13      ILE  70  36.332  27.020  23.922
  564    H    PHE  71           H        PHE  71  32.072  27.132  28.323
  565    HA   PHE  71           HA       PHE  71  32.181  29.993  29.157
  566    HB2  PHE  71           HB2      PHE  71  30.198  27.863  29.996
  567    HB3  PHE  71           HB3      PHE  71  30.366  29.439  30.758
  568    HD1  PHE  71           HD2      PHE  71  29.375  27.690  27.625
  569    HD2  PHE  71           HD1      PHE  71  29.471  31.455  29.727
  570    HE1  PHE  71           HE2      PHE  71  27.865  28.691  25.924
  571    HE2  PHE  71           HE1      PHE  71  27.925  32.430  28.049
  572    HZ   PHE  71           HZ       PHE  71  27.118  31.037  26.139
  573    H    ILE  72           H        ILE  72  33.446  30.438  30.842
  574    HA   ILE  72           HA       ILE  72  34.505  28.217  32.564
  575    HB   ILE  72           HB       ILE  72  36.058  30.600  31.467
  576   HG12  ILE  72          HG12      ILE  72  35.885  27.680  30.652
  577   HG13  ILE  72          HG13      ILE  72  35.834  29.119  29.647
  578   HG21  ILE  72          HG21      ILE  72  36.930  28.262  33.253
  579   HG22  ILE  72          HG22      ILE  72  38.002  29.525  32.603
  580   HG23  ILE  72          HG23      ILE  72  36.771  29.958  33.758
  581   HD11  ILE  72          HD11      ILE  72  37.901  27.958  29.236
  582   HD12  ILE  72          HD12      ILE  72  38.302  29.446  30.121
  583   HD13  ILE  72          HD13      ILE  72  38.280  27.874  30.964
  584    H    ASN  73           H        ASN  73  34.051  28.541  34.656
  585    HA   ASN  73           HA       ASN  73  33.125  29.530  36.498
  586    HB2  ASN  73           HB2      ASN  73  35.105  31.743  35.837
  587    HB3  ASN  73           HB3      ASN  73  34.398  31.423  37.415
  588   HD21  ASN  73          HD21      ASN  73  37.293  31.329  36.375
  589   HD22  ASN  73          HD22      ASN  73  37.819  29.719  36.869
  590    H    GLY  74           H        GLY  74  31.391  29.766  34.454
  591    HA2  GLY  74           HA2      GLY  74  29.436  30.855  33.862
  592    HA3  GLY  74           HA3      GLY  74  29.764  32.069  35.060
  593    H    ASN  75           H        ASN  75  32.453  32.179  33.033
  594    HA   ASN  75           HA       ASN  75  31.330  34.521  31.560
  595    HB2  ASN  75           HB2      ASN  75  34.116  33.719  32.483
  596    HB3  ASN  75           HB3      ASN  75  33.839  35.037  31.393
  597   HD21  ASN  75          HD21      ASN  75  33.046  33.942  34.714
  598   HD22  ASN  75          HD22      ASN  75  32.855  35.602  35.236
  599    H    PHE  76           H        PHE  76  31.783  34.877  29.323
  600    HA   PHE  76           HA       PHE  76  31.643  32.337  27.858
  601    HB2  PHE  76           HB2      PHE  76  29.881  33.937  27.553
  602    HB3  PHE  76           HB3      PHE  76  31.023  35.211  27.153
  603    HD1  PHE  76           HD1      PHE  76  30.250  31.708  25.923
  604    HD2  PHE  76           HD2      PHE  76  31.147  35.805  24.910
  605    HE1  PHE  76           HE1      PHE  76  30.099  31.155  23.513
  606    HE2  PHE  76           HE2      PHE  76  30.995  35.241  22.499
  607    HZ   PHE  76           HZ       PHE  76  30.467  32.917  21.796
  608    H    ILE  77           H        ILE  77  32.867  31.585  26.317
  609    HA   ILE  77           HA       ILE  77  34.998  33.127  24.973
  610    HB   ILE  77           HB       ILE  77  35.297  30.346  26.176
  611   HG12  ILE  77          HG12      ILE  77  36.792  32.946  26.721
  612   HG13  ILE  77          HG13      ILE  77  35.650  32.147  27.804
  613   HG21  ILE  77          HG21      ILE  77  37.546  30.259  25.164
  614   HG22  ILE  77          HG22      ILE  77  36.338  30.396  23.914
  615   HG23  ILE  77          HG23      ILE  77  37.279  31.832  24.389
  616   HD11  ILE  77          HD11      ILE  77  38.412  31.171  27.044
  617   HD12  ILE  77          HD12      ILE  77  37.800  31.632  28.637
  618   HD13  ILE  77          HD13      ILE  77  37.203  30.150  27.860
  619    H    GLY  78           H        GLY  78  35.048  32.711  22.723
  620    HA2  GLY  78           HA2      GLY  78  34.011  30.073  21.864
  621    HA3  GLY  78           HA3      GLY  78  33.259  31.451  21.081
  622    H    GLY  79           H        GLY  79  35.584  29.194  20.817
  623    HA2  GLY  79           HA2      GLY  79  36.318  29.406  18.289
  624    HA3  GLY  79           HA3      GLY  79  37.417  30.607  18.985
  625    H    CYS  80           H        CYS  80  37.815  27.827  17.719
  626    HA   CYS  80           HA       CYS  80  38.615  25.995  19.817
  627    HB2  CYS  80           HB2      CYS  80  39.255  26.064  16.829
  628    HB3  CYS  80           HB3      CYS  80  39.641  24.733  17.926
  629    HG   CYS  80           HG       CYS  80  36.700  25.944  16.969
  630    H    SER  81           H        SER  81  40.395  28.288  17.759
  631    HA   SER  81           HA       SER  81  42.999  27.716  18.986
  632    HB2  SER  81           HB2      SER  81  42.128  29.913  17.077
  633    HB3  SER  81           HB3      SER  81  43.790  29.606  17.630
  634    HG   SER  81           HG       SER  81  42.468  28.382  15.648
  635    H    ASP  82           H        ASP  82  40.400  30.109  19.390
  636    HA   ASP  82           HA       ASP  82  41.741  31.918  21.083
  637    HB2  ASP  82           HB2      ASP  82  39.282  31.793  19.996
  638    HB3  ASP  82           HB3      ASP  82  38.843  31.259  21.601
  639    H    LEU  83           H        LEU  83  40.113  28.942  21.854
  640    HA   LEU  83           HA       LEU  83  40.476  28.920  24.720
  641    HB2  LEU  83           HB2      LEU  83  38.783  27.572  23.571
  642    HB3  LEU  83           HB3      LEU  83  40.018  26.760  22.620
  643    HG   LEU  83           HG       LEU  83  40.932  25.705  24.662
  644   HD11  LEU  83          HD11      LEU  83  38.521  26.955  26.053
  645   HD12  LEU  83          HD12      LEU  83  39.602  25.726  26.752
  646   HD13  LEU  83          HD13      LEU  83  40.226  27.334  26.377
  647   HD21  LEU  83          HD21      LEU  83  39.248  24.572  23.263
  648   HD22  LEU  83          HD22      LEU  83  39.135  24.095  24.960
  649   HD23  LEU  83          HD23      LEU  83  37.953  25.238  24.282
  650    H    GLU  84           H        GLU  84  42.420  27.520  22.025
  651    HA   GLU  84           HA       GLU  84  44.413  26.297  23.759
  652    HB2  GLU  84           HB2      GLU  84  44.510  27.098  20.816
  653    HB3  GLU  84           HB3      GLU  84  45.828  26.293  21.678
  654    HG2  GLU  84           HG2      GLU  84  44.392  24.376  22.177
  655    HG3  GLU  84           HG3      GLU  84  43.053  25.129  21.313
  656    H    ALA  85           H        ALA  85  44.070  29.513  22.267
  657    HA   ALA  85           HA       ALA  85  46.709  30.357  22.640
  658    HB1  ALA  85           HB1      ALA  85  45.702  32.653  22.390
  659    HB2  ALA  85           HB2      ALA  85  45.034  31.503  21.219
  660    HB3  ALA  85           HB3      ALA  85  44.084  31.959  22.645
  661    H    LEU  86           H        LEU  86  43.984  30.496  24.949
  662    HA   LEU  86           HA       LEU  86  45.453  31.851  27.074
  663    HB2  LEU  86           HB2      LEU  86  42.998  30.042  27.105
  664    HB3  LEU  86           HB3      LEU  86  43.619  30.906  28.511
  665    HG   LEU  86           HG       LEU  86  42.580  32.247  25.987
  666   HD11  LEU  86          HD11      LEU  86  41.332  31.903  28.753
  667   HD12  LEU  86          HD12      LEU  86  40.635  32.804  27.393
  668   HD13  LEU  86          HD13      LEU  86  40.834  31.055  27.268
  669   HD21  LEU  86          HD21      LEU  86  44.215  33.677  27.152
  670   HD22  LEU  86          HD22      LEU  86  42.583  34.294  27.401
  671   HD23  LEU  86          HD23      LEU  86  43.382  33.394  28.704
  672    H    ASP  87           H        ASP  87  45.006  28.477  26.110
  673    HA   ASP  87           HA       ASP  87  46.106  27.266  28.467
  674    HB2  ASP  87           HB2      ASP  87  44.640  26.235  26.613
  675    HB3  ASP  87           HB3      ASP  87  46.117  26.081  25.674
  676    H    LYS  88           H        LYS  88  47.523  28.144  25.330
  677    HA   LYS  88           HA       LYS  88  50.284  27.498  25.978
  678    HB2  LYS  88           HB2      LYS  88  48.838  28.897  23.720
  679    HB3  LYS  88           HB3      LYS  88  50.577  29.049  23.848
  680    HG2  LYS  88           HG2      LYS  88  49.861  27.268  22.303
  681    HG3  LYS  88           HG3      LYS  88  50.946  26.696  23.571
  682    HD2  LYS  88           HD2      LYS  88  49.239  25.473  24.668
  683    HD3  LYS  88           HD3      LYS  88  47.973  26.443  23.924
  684    HE2  LYS  88           HE2      LYS  88  47.772  24.415  22.908
  685    HE3  LYS  88           HE3      LYS  88  48.481  25.503  21.720
  686    HZ1  LYS  88           HZ1      LYS  88  49.491  23.192  21.863
  687    HZ2  LYS  88           HZ2      LYS  88  50.576  24.423  21.976
  688    HZ3  LYS  88           HZ3      LYS  88  50.114  23.595  23.319
  689    H    GLU  89           H        GLU  89  48.365  30.413  26.499
  690    HA   GLU  89           HA       GLU  89  50.686  32.028  27.311
  691    HB2  GLU  89           HB2      GLU  89  47.661  32.306  27.580
  692    HB3  GLU  89           HB3      GLU  89  48.737  33.329  28.501
  693    HG2  GLU  89           HG2      GLU  89  49.828  34.048  26.340
  694    HG3  GLU  89           HG3      GLU  89  48.482  33.279  25.496
  695    H    GLY  90           H        GLY  90  49.305  29.319  28.796
  696    HA2  GLY  90           HA2      GLY  90  49.679  28.481  30.938
  697    HA3  GLY  90           HA3      GLY  90  50.693  29.892  31.266
  698    H    LYS  91           H        LYS  91  47.613  30.853  30.155
  699    HA   LYS  91           HA       LYS  91  46.904  31.870  32.876
  700    HB2  LYS  91           HB2      LYS  91  46.554  32.739  30.015
  701    HB3  LYS  91           HB3      LYS  91  45.262  33.163  31.127
  702    HG2  LYS  91           HG2      LYS  91  46.646  34.455  32.520
  703    HG3  LYS  91           HG3      LYS  91  48.133  33.774  31.852
  704    HD2  LYS  91           HD2      LYS  91  47.638  36.129  31.115
  705    HD3  LYS  91           HD3      LYS  91  47.930  34.957  29.832
  706    HE2  LYS  91           HE2      LYS  91  45.450  34.754  29.490
  707    HE3  LYS  91           HE3      LYS  91  45.211  36.052  30.672
  708    HZ1  LYS  91           HZ1      LYS  91  46.397  37.549  29.217
  709    HZ2  LYS  91           HZ2      LYS  91  46.858  36.344  28.208
  710    HZ3  LYS  91           HZ3      LYS  91  45.282  36.778  28.294
  711    H    LEU  92           H        LEU  92  45.828  29.460  30.627
  712    HA   LEU  92           HA       LEU  92  43.098  29.393  31.652
  713    HB2  LEU  92           HB2      LEU  92  43.847  28.680  29.360
  714    HB3  LEU  92           HB3      LEU  92  44.647  27.295  30.098
  715    HG   LEU  92           HG       LEU  92  42.562  26.354  30.798
  716   HD11  LEU  92          HD11      LEU  92  41.191  28.259  31.405
  717   HD12  LEU  92          HD12      LEU  92  41.214  28.865  29.727
  718   HD13  LEU  92          HD13      LEU  92  40.374  27.353  30.136
  719   HD21  LEU  92          HD21      LEU  92  42.301  27.420  27.952
  720   HD22  LEU  92          HD22      LEU  92  43.267  26.026  28.426
  721   HD23  LEU  92          HD23      LEU  92  41.499  25.977  28.595
  722    H    ASP  93           H        ASP  93  46.165  27.827  32.393
  723    HA   ASP  93           HA       ASP  93  45.289  26.106  34.523
  724    HB2  ASP  93           HB2      ASP  93  47.897  27.530  33.853
  725    HB3  ASP  93           HB3      ASP  93  47.699  26.507  35.266
  726    H    GLY  94           H        GLY  94  45.976  29.590  34.424
  727    HA2  GLY  94           HA2      GLY  94  45.726  30.105  37.272
  728    HA3  GLY  94           HA3      GLY  94  45.625  31.276  35.949
  729    H    LEU  95           H        LEU  95  43.445  29.966  34.525
  730    HA   LEU  95           HA       LEU  95  41.131  30.847  36.052
  731    HB2  LEU  95           HB2      LEU  95  41.511  29.424  33.396
  732    HB3  LEU  95           HB3      LEU  95  39.931  29.818  34.042
  733    HG   LEU  95           HG       LEU  95  42.083  31.907  33.484
  734   HD11  LEU  95          HD11      LEU  95  39.693  31.087  31.779
  735   HD12  LEU  95          HD12      LEU  95  40.764  32.468  31.476
  736   HD13  LEU  95          HD13      LEU  95  41.408  30.828  31.378
  737   HD21  LEU  95          HD21      LEU  95  39.091  32.157  33.976
  738   HD22  LEU  95          HD22      LEU  95  40.381  32.662  35.096
  739   HD23  LEU  95          HD23      LEU  95  40.188  33.486  33.548
  740    H    LEU  96           H        LEU  96  42.664  27.700  35.502
  741    HA   LEU  96           HA       LEU  96  40.651  26.174  36.965
  742    HB2  LEU  96           HB2      LEU  96  43.559  25.578  36.272
  743    HB3  LEU  96           HB3      LEU  96  42.483  24.416  37.018
  744    HG   LEU  96           HG       LEU  96  42.239  25.491  34.195
  745   HD11  LEU  96          HD11      LEU  96  43.970  23.749  34.780
  746   HD12  LEU  96          HD12      LEU  96  42.673  22.713  35.403
  747   HD13  LEU  96          HD13      LEU  96  42.741  23.137  33.687
  748   HD21  LEU  96          HD21      LEU  96  39.977  25.258  35.070
  749   HD22  LEU  96          HD22      LEU  96  40.352  23.941  33.976
  750   HD23  LEU  96          HD23      LEU  96  40.368  23.644  35.730
  751    H    SER  97           H        SER  97  42.908  28.440  38.120
  752    HA   SER  97           HA       SER  97  43.578  27.018  40.621
  753    HB2  SER  97           HB2      SER  97  44.324  29.796  39.633
  754    HB3  SER  97           HB3      SER  97  44.908  29.043  41.115
  755    HG   SER  97           HG       SER  97  45.210  27.955  38.482
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  15.096  37.090  27.111
    2    H2   GLY   1           H2       GLY   1  14.907  37.992  28.474
    3    H3   GLY   1           H3       GLY   1  13.641  37.121  27.883
    4    HA2  GLY   1           HA2      GLY   1  14.624  35.061  28.397
    5    HA3  GLY   1           HA3      GLY   1  16.140  35.884  28.798
    6    H    ALA   2           H        ALA   2  12.671  35.801  29.792
    7    HA   ALA   2           HA       ALA   2  13.178  37.028  32.345
    8    HB1  ALA   2           HB1      ALA   2  10.781  35.469  31.294
    9    HB2  ALA   2           HB2      ALA   2  10.803  36.503  32.738
   10    HB3  ALA   2           HB3      ALA   2  11.057  37.222  31.140
   11    H    MET   3           H        MET   3  13.834  33.841  31.385
   12    HA   MET   3           HA       MET   3  14.498  33.199  34.157
   13    HB2  MET   3           HB2      MET   3  13.604  30.858  33.969
   14    HB3  MET   3           HB3      MET   3  12.412  32.132  34.092
   15    HG2  MET   3           HG2      MET   3  11.643  30.493  32.558
   16    HG3  MET   3           HG3      MET   3  11.968  31.974  31.672
   17    HE1  MET   3           HE1      MET   3  12.629  29.021  29.133
   18    HE2  MET   3           HE2      MET   3  11.478  28.967  30.482
   19    HE3  MET   3           HE3      MET   3  11.630  30.444  29.500
   20    HA   PRO   4           HA       PRO   4  18.233  32.347  32.482
   21    HB2  PRO   4           HB2      PRO   4  19.488  30.651  34.236
   22    HB3  PRO   4           HB3      PRO   4  18.902  32.282  34.684
   23    HG2  PRO   4           HG2      PRO   4  17.519  29.605  35.076
   24    HG3  PRO   4           HG3      PRO   4  17.790  30.899  36.291
   25    HD2  PRO   4           HD2      PRO   4  15.452  30.680  34.965
   26    HD3  PRO   4           HD3      PRO   4  16.158  32.286  35.317
   27    H    SER   5           H        SER   5  16.443  29.308  32.518
   28    HA   SER   5           HA       SER   5  16.812  27.272  31.568
   29    HB2  SER   5           HB2      SER   5  17.533  29.164  29.347
   30    HB3  SER   5           HB3      SER   5  17.444  27.419  29.082
   31    HG   SER   5           HG       SER   5  15.449  28.905  28.892
   32    H    ILE   6           H        ILE   6  19.534  27.987  29.609
   33    HA   ILE   6           HA       ILE   6  20.902  25.709  30.671
   34    HB   ILE   6           HB       ILE   6  22.500  25.999  29.041
   35   HG12  ILE   6          HG12      ILE   6  21.640  28.869  28.661
   36   HG13  ILE   6          HG13      ILE   6  23.211  28.302  29.195
   37   HG21  ILE   6          HG21      ILE   6  20.110  25.445  28.459
   38   HG22  ILE   6          HG22      ILE   6  19.991  27.074  27.746
   39   HG23  ILE   6          HG23      ILE   6  21.188  25.910  27.135
   40   HD11  ILE   6          HD11      ILE   6  23.621  27.304  26.956
   41   HD12  ILE   6          HD12      ILE   6  22.041  27.835  26.406
   42   HD13  ILE   6          HD13      ILE   6  23.269  29.036  26.846
   43    H    ALA   7           H        ALA   7  21.159  29.075  31.390
   44    HA   ALA   7           HA       ALA   7  23.850  29.346  32.092
   45    HB1  ALA   7           HB1      ALA   7  22.284  31.201  31.824
   46    HB2  ALA   7           HB2      ALA   7  21.442  30.732  33.313
   47    HB3  ALA   7           HB3      ALA   7  23.121  31.307  33.382
   48    H    SER   8           H        SER   8  21.200  28.120  34.172
   49    HA   SER   8           HA       SER   8  22.583  27.904  36.618
   50    HB2  SER   8           HB2      SER   8  20.447  26.070  35.481
   51    HB3  SER   8           HB3      SER   8  20.877  26.259  37.198
   52    HG   SER   8           HG       SER   8  19.090  27.521  36.639
   53    H    MET   9           H        MET   9  22.641  25.640  33.830
   54    HA   MET   9           HA       MET   9  24.127  23.547  35.175
   55    HB2  MET   9           HB2      MET   9  24.194  24.169  32.196
   56    HB3  MET   9           HB3      MET   9  24.491  22.633  33.006
   57    HG2  MET   9           HG2      MET   9  22.024  22.779  33.782
   58    HG3  MET   9           HG3      MET   9  21.843  24.050  32.588
   59    HE1  MET   9           HE1      MET   9  22.334  22.185  29.189
   60    HE2  MET   9           HE2      MET   9  21.850  23.695  29.988
   61    HE3  MET   9           HE3      MET   9  23.542  23.142  30.076
   62    H    ILE  10           H        ILE  10  25.001  26.539  33.532
   63    HA   ILE  10           HA       ILE  10  27.830  26.030  33.293
   64    HB   ILE  10           HB       ILE  10  26.718  28.776  33.123
   65   HG12  ILE  10          HG12      ILE  10  26.319  26.393  31.271
   66   HG13  ILE  10          HG13      ILE  10  25.131  27.565  31.871
   67   HG21  ILE  10          HG21      ILE  10  29.223  28.193  32.962
   68   HG22  ILE  10          HG22      ILE  10  28.834  27.235  31.542
   69   HG23  ILE  10          HG23      ILE  10  28.549  28.988  31.538
   70   HD11  ILE  10          HD11      ILE  10  25.485  27.951  29.581
   71   HD12  ILE  10          HD12      ILE  10  26.243  29.297  30.490
   72   HD13  ILE  10          HD13      ILE  10  27.256  27.973  29.825
   73    H    LYS  11           H        LYS  11  25.754  27.265  35.790
   74    HA   LYS  11           HA       LYS  11  28.007  27.935  37.639
   75    HB2  LYS  11           HB2      LYS  11  24.992  28.252  37.830
   76    HB3  LYS  11           HB3      LYS  11  26.020  28.304  39.245
   77    HG2  LYS  11           HG2      LYS  11  25.828  30.524  38.774
   78    HG3  LYS  11           HG3      LYS  11  27.389  30.126  38.099
   79    HD2  LYS  11           HD2      LYS  11  26.272  31.641  36.607
   80    HD3  LYS  11           HD3      LYS  11  26.349  30.069  35.823
   81    HE2  LYS  11           HE2      LYS  11  24.184  30.855  35.356
   82    HE3  LYS  11           HE3      LYS  11  23.958  29.664  36.630
   83    HZ1  LYS  11           HZ1      LYS  11  22.645  31.540  37.123
   84    HZ2  LYS  11           HZ2      LYS  11  23.852  31.572  38.215
   85    HZ3  LYS  11           HZ3      LYS  11  23.869  32.619  36.935
   86    H    GLY  12           H        GLY  12  26.676  25.105  36.572
   87    HA2  GLY  12           HA2      GLY  12  26.647  23.683  39.177
   88    HA3  GLY  12           HA3      GLY  12  26.101  23.087  37.613
   89    H    ASN  13           H        ASN  13  28.569  23.731  36.152
   90    HA   ASN  13           HA       ASN  13  30.681  22.113  37.535
   91    HB2  ASN  13           HB2      ASN  13  29.560  21.754  34.734
   92    HB3  ASN  13           HB3      ASN  13  31.238  21.410  35.047
   93   HD21  ASN  13          HD21      ASN  13  31.834  19.815  36.617
   94   HD22  ASN  13          HD22      ASN  13  30.754  18.452  36.856
   95    H    LYS  14           H        LYS  14  32.840  22.484  36.691
   96    HA   LYS  14           HA       LYS  14  33.424  25.330  36.701
   97    HB2  LYS  14           HB2      LYS  14  34.852  23.627  37.761
   98    HB3  LYS  14           HB3      LYS  14  35.212  22.923  36.183
   99    HG2  LYS  14           HG2      LYS  14  36.298  24.997  35.442
  100    HG3  LYS  14           HG3      LYS  14  35.936  25.783  36.982
  101    HD2  LYS  14           HD2      LYS  14  37.668  23.292  36.643
  102    HD3  LYS  14           HD3      LYS  14  38.302  24.946  36.665
  103    HE2  LYS  14           HE2      LYS  14  37.550  25.300  38.941
  104    HE3  LYS  14           HE3      LYS  14  36.723  23.715  38.944
  105    HZ1  LYS  14           HZ1      LYS  14  38.808  23.410  40.011
  106    HZ2  LYS  14           HZ2      LYS  14  38.994  22.747  38.516
  107    HZ3  LYS  14           HZ3      LYS  14  39.630  24.224  38.884
  108    H    VAL  15           H        VAL  15  33.525  22.839  34.156
  109    HA   VAL  15           HA       VAL  15  33.637  24.993  32.093
  110    HB   VAL  15           HB       VAL  15  34.997  22.316  31.750
  111   HG11  VAL  15          HG11      VAL  15  34.408  23.531  29.687
  112   HG12  VAL  15          HG12      VAL  15  35.280  24.956  30.276
  113   HG13  VAL  15          HG13      VAL  15  36.155  23.450  29.931
  114   HG21  VAL  15          HG21      VAL  15  36.169  23.390  33.592
  115   HG22  VAL  15          HG22      VAL  15  37.126  23.481  32.131
  116   HG23  VAL  15          HG23      VAL  15  36.247  24.923  32.692
  117    H    VAL  16           H        VAL  16  32.101  24.934  30.611
  118    HA   VAL  16           HA       VAL  16  30.525  22.436  30.156
  119    HB   VAL  16           HB       VAL  16  29.279  25.149  30.677
  120   HG11  VAL  16          HG11      VAL  16  27.995  23.879  28.999
  121   HG12  VAL  16          HG12      VAL  16  28.025  22.440  30.047
  122   HG13  VAL  16          HG13      VAL  16  27.137  23.897  30.540
  123   HG21  VAL  16          HG21      VAL  16  29.310  22.567  32.304
  124   HG22  VAL  16          HG22      VAL  16  29.948  24.150  32.800
  125   HG23  VAL  16          HG23      VAL  16  28.207  23.917  32.615
  126    H    VAL  17           H        VAL  17  30.139  22.074  28.015
  127    HA   VAL  17           HA       VAL  17  30.613  24.308  26.065
  128    HB   VAL  17           HB       VAL  17  31.714  21.481  25.929
  129   HG11  VAL  17          HG11      VAL  17  31.956  23.714  23.876
  130   HG12  VAL  17          HG12      VAL  17  32.798  22.147  23.834
  131   HG13  VAL  17          HG13      VAL  17  31.048  22.201  23.672
  132   HG21  VAL  17          HG21      VAL  17  33.906  22.625  25.848
  133   HG22  VAL  17          HG22      VAL  17  33.081  24.160  26.193
  134   HG23  VAL  17          HG23      VAL  17  33.061  22.844  27.382
  135    H    PHE  18           H        PHE  18  29.356  24.316  24.196
  136    HA   PHE  18           HA       PHE  18  27.098  22.343  24.113
  137    HB2  PHE  18           HB2      PHE  18  27.000  25.292  23.443
  138    HB3  PHE  18           HB3      PHE  18  25.693  24.145  23.223
  139    HD1  PHE  18           HD1      PHE  18  27.736  25.950  25.744
  140    HD2  PHE  18           HD2      PHE  18  24.286  23.458  25.088
  141    HE1  PHE  18           HE1      PHE  18  26.877  26.553  27.984
  142    HE2  PHE  18           HE2      PHE  18  23.420  24.064  27.334
  143    HZ   PHE  18           HZ       PHE  18  24.684  25.674  28.764
  144    H    SER  19           H        SER  19  27.030  21.180  22.342
  145    HA   SER  19           HA       SER  19  28.528  21.970  19.869
  146    HB2  SER  19           HB2      SER  19  28.952  19.488  21.571
  147    HB3  SER  19           HB3      SER  19  29.705  19.797  19.996
  148    HG   SER  19           HG       SER  19  31.100  20.403  21.596
  149    H    TRP  20           H        TRP  20  28.485  20.197  18.178
  150    HA   TRP  20           HA       TRP  20  25.838  18.770  18.096
  151    HB2  TRP  20           HB2      TRP  20  27.291  20.286  15.926
  152    HB3  TRP  20           HB3      TRP  20  26.190  18.983  15.555
  153    HD1  TRP  20           HD1      TRP  20  24.434  20.523  18.284
  154    HE1  TRP  20           HE1      TRP  20  22.541  22.036  17.385
  155    HE3  TRP  20           HE3      TRP  20  26.071  21.166  13.471
  156    HZ2  TRP  20           HZ2      TRP  20  21.962  23.518  15.011
  157    HZ3  TRP  20           HZ3      TRP  20  24.846  22.682  11.928
  158    HH2  TRP  20           HH2      TRP  20  22.806  23.867  12.685
  159    H    VAL  21           H        VAL  21  25.810  16.674  17.518
  160    HA   VAL  21           HA       VAL  21  28.362  15.228  17.286
  161    HB   VAL  21           HB       VAL  21  26.693  13.228  17.001
  162   HG11  VAL  21          HG11      VAL  21  26.812  12.825  19.380
  163   HG12  VAL  21          HG12      VAL  21  28.328  13.526  18.823
  164   HG13  VAL  21          HG13      VAL  21  27.160  14.538  19.699
  165   HG21  VAL  21          HG21      VAL  21  24.660  13.407  18.278
  166   HG22  VAL  21          HG22      VAL  21  24.968  15.104  18.682
  167   HG23  VAL  21          HG23      VAL  21  24.602  14.626  17.003
  168    H    THR  22           H        THR  22  28.134  14.659  13.737
  169    HA   THR  22           HA       THR  22  29.904  15.105  16.123
  170    HB   THR  22           HB       THR  22  31.571  13.740  15.030
  171    HG1  THR  22           HG1      THR  22  31.103  12.553  13.274
  172   HG21  THR  22          HG21      THR  22  30.580  11.572  15.474
  173   HG22  THR  22          HG22      THR  22  28.938  12.221  15.296
  174   HG23  THR  22          HG23      THR  22  29.962  12.721  16.661
  175    H    CYS  23           H        CYS  23  31.701  16.400  15.913
  176    HA   CYS  23           HA       CYS  23  31.506  18.328  13.627
  177    HB2  CYS  23           HB2      CYS  23  30.258  19.191  15.501
  178    HB3  CYS  23           HB3      CYS  23  31.615  18.891  16.593
  179    HG   CYS  23           HG       CYS  23  31.206  21.040  14.137
  180    HA   PRO  24           HA       PRO  24  35.935  17.574  13.555
  181    HB2  PRO  24           HB2      PRO  24  35.867  20.082  11.863
  182    HB3  PRO  24           HB3      PRO  24  36.777  18.564  11.586
  183    HG2  PRO  24           HG2      PRO  24  34.485  19.008  10.232
  184    HG3  PRO  24           HG3      PRO  24  34.773  17.394  10.967
  185    HD2  PRO  24           HD2      PRO  24  33.104  19.685  12.054
  186    HD3  PRO  24           HD3      PRO  24  32.713  17.940  11.948
  187    H    TYR  25           H        TYR  25  34.538  20.589  14.678
  188    HA   TYR  25           HA       TYR  25  37.046  21.392  16.010
  189    HB2  TYR  25           HB2      TYR  25  34.275  22.608  16.077
  190    HB3  TYR  25           HB3      TYR  25  35.727  23.311  16.772
  191    HD1  TYR  25           HD1      TYR  25  37.822  23.162  14.844
  192    HD2  TYR  25           HD2      TYR  25  33.594  23.671  14.113
  193    HE1  TYR  25           HE1      TYR  25  38.319  24.236  12.646
  194    HE2  TYR  25           HE2      TYR  25  34.098  24.713  11.920
  195    HH   TYR  25           HH       TYR  25  35.691  25.439  10.520
  196    H    CYS  26           H        CYS  26  33.882  20.088  17.062
  197    HA   CYS  26           HA       CYS  26  34.397  20.461  19.826
  198    HB2  CYS  26           HB2      CYS  26  32.220  20.082  18.909
  199    HB3  CYS  26           HB3      CYS  26  32.540  18.392  18.544
  200    HG   CYS  26           HG       CYS  26  33.039  17.634  20.974
  201    H    VAL  27           H        VAL  27  35.270  17.713  17.792
  202    HA   VAL  27           HA       VAL  27  36.416  15.916  19.572
  203    HB   VAL  27           HB       VAL  27  36.253  15.809  17.255
  204   HG11  VAL  27          HG11      VAL  27  36.911  17.884  16.536
  205   HG12  VAL  27          HG12      VAL  27  38.628  17.323  16.590
  206   HG13  VAL  27          HG13      VAL  27  37.444  16.515  15.553
  207   HG21  VAL  27          HG21      VAL  27  39.130  15.283  18.133
  208   HG22  VAL  27          HG22      VAL  27  37.762  14.196  18.467
  209   HG23  VAL  27          HG23      VAL  27  38.302  14.449  16.799
  210    H    ARG  28           H        ARG  28  37.918  18.369  17.970
  211    HA   ARG  28           HA       ARG  28  40.477  18.587  19.222
  212    HB2  ARG  28           HB2      ARG  28  39.117  21.182  18.405
  213    HB3  ARG  28           HB3      ARG  28  40.824  20.822  18.530
  214    HG2  ARG  28           HG2      ARG  28  40.467  19.157  16.599
  215    HG3  ARG  28           HG3      ARG  28  38.874  19.948  16.422
  216    HD2  ARG  28           HD2      ARG  28  40.026  22.160  16.285
  217    HD3  ARG  28           HD3      ARG  28  41.586  21.317  16.289
  218    HE   ARG  28           HE       ARG  28  40.118  20.156  14.200
  219   HH11  ARG  28          HH12      ARG  28  41.414  23.365  14.908
  220   HH12  ARG  28          HH11      ARG  28  41.496  23.754  13.195
  221   HH21  ARG  28          HH22      ARG  28  40.109  20.855  12.060
  222   HH22  ARG  28          HH21      ARG  28  40.912  22.335  11.652
  223    H    ALA  29           H        ALA  29  37.595  20.438  20.166
  224    HA   ALA  29           HA       ALA  29  38.810  21.683  22.439
  225    HB1  ALA  29           HB1      ALA  29  35.861  21.187  21.856
  226    HB2  ALA  29           HB2      ALA  29  36.529  22.323  23.052
  227    HB3  ALA  29           HB3      ALA  29  36.819  22.588  21.319
  228    H    GLU  30           H        GLU  30  36.582  18.772  22.365
  229    HA   GLU  30           HA       GLU  30  36.720  18.275  25.190
  230    HB2  GLU  30           HB2      GLU  30  36.353  16.404  22.813
  231    HB3  GLU  30           HB3      GLU  30  36.313  15.866  24.488
  232    HG2  GLU  30           HG2      GLU  30  34.437  17.702  24.761
  233    HG3  GLU  30           HG3      GLU  30  34.279  17.543  22.995
  234    H    LYS  31           H        LYS  31  38.953  17.318  22.649
  235    HA   LYS  31           HA       LYS  31  40.421  15.477  24.248
  236    HB2  LYS  31           HB2      LYS  31  40.485  15.396  21.810
  237    HB3  LYS  31           HB3      LYS  31  40.947  17.091  21.709
  238    HG2  LYS  31           HG2      LYS  31  43.202  16.480  22.693
  239    HG3  LYS  31           HG3      LYS  31  42.679  14.785  22.632
  240    HD2  LYS  31           HD2      LYS  31  44.027  15.280  20.689
  241    HD3  LYS  31           HD3      LYS  31  42.348  15.013  20.176
  242    HE2  LYS  31           HE2      LYS  31  41.973  17.386  19.892
  243    HE3  LYS  31           HE3      LYS  31  43.524  17.799  20.630
  244    HZ1  LYS  31           HZ1      LYS  31  43.637  17.893  18.198
  245    HZ2  LYS  31           HZ2      LYS  31  44.623  16.699  18.747
  246    HZ3  LYS  31           HZ3      LYS  31  43.176  16.322  18.061
  247    H    LEU  32           H        LEU  32  40.947  18.841  23.438
  248    HA   LEU  32           HA       LEU  32  43.374  19.302  24.902
  249    HB2  LEU  32           HB2      LEU  32  42.584  20.435  22.907
  250    HB3  LEU  32           HB3      LEU  32  41.156  20.997  23.775
  251    HG   LEU  32           HG       LEU  32  42.312  22.687  24.894
  252   HD11  LEU  32          HD11      LEU  32  44.938  21.368  24.092
  253   HD12  LEU  32          HD12      LEU  32  44.774  22.963  24.876
  254   HD13  LEU  32          HD13      LEU  32  44.256  21.501  25.727
  255   HD21  LEU  32          HD21      LEU  32  43.498  23.865  23.056
  256   HD22  LEU  32          HD22      LEU  32  43.592  22.318  22.140
  257   HD23  LEU  32          HD23      LEU  32  42.024  23.069  22.463
  258    H    LEU  33           H        LEU  33  39.898  19.853  25.666
  259    HA   LEU  33           HA       LEU  33  40.414  21.211  28.127
  260    HB2  LEU  33           HB2      LEU  33  37.958  19.750  27.089
  261    HB3  LEU  33           HB3      LEU  33  37.957  20.672  28.589
  262    HG   LEU  33           HG       LEU  33  38.618  21.845  25.861
  263   HD11  LEU  33          HD11      LEU  33  36.261  21.173  25.974
  264   HD12  LEU  33          HD12      LEU  33  36.061  22.285  27.362
  265   HD13  LEU  33          HD13      LEU  33  36.524  22.906  25.776
  266   HD21  LEU  33          HD21      LEU  33  38.259  24.039  26.962
  267   HD22  LEU  33          HD22      LEU  33  38.071  23.215  28.513
  268   HD23  LEU  33          HD23      LEU  33  39.634  23.176  27.652
  269    H    HIS  34           H        HIS  34  39.817  17.733  27.467
  270    HA   HIS  34           HA       HIS  34  40.279  16.860  30.186
  271    HB2  HIS  34           HB2      HIS  34  40.311  15.550  27.460
  272    HB3  HIS  34           HB3      HIS  34  40.994  14.713  28.842
  273    HD1  HIS  34           HD1      HIS  34  39.367  13.602  30.536
  274    HD2  HIS  34           HD2      HIS  34  37.531  16.022  27.630
  275    HE1  HIS  34           HE1      HIS  34  36.866  13.110  30.673
  276    H    ALA  35           H        ALA  35  42.534  17.491  27.407
  277    HA   ALA  35           HA       ALA  35  44.781  16.314  28.772
  278    HB1  ALA  35           HB1      ALA  35  44.571  16.421  26.342
  279    HB2  ALA  35           HB2      ALA  35  44.594  18.202  26.398
  280    HB3  ALA  35           HB3      ALA  35  46.027  17.274  26.852
  281    H    ARG  36           H        ARG  36  43.378  19.401  29.090
  282    HA   ARG  36           HA       ARG  36  45.720  20.466  30.630
  283    HB2  ARG  36           HB2      ARG  36  43.447  21.853  29.149
  284    HB3  ARG  36           HB3      ARG  36  44.579  22.635  30.233
  285    HG2  ARG  36           HG2      ARG  36  45.346  21.258  27.648
  286    HG3  ARG  36           HG3      ARG  36  45.203  23.005  27.911
  287    HD2  ARG  36           HD2      ARG  36  46.977  22.596  29.818
  288    HD3  ARG  36           HD3      ARG  36  47.240  21.062  28.965
  289    HE   ARG  36           HE       ARG  36  47.389  23.618  27.434
  290   HH11  ARG  36          HH22      ARG  36  49.287  21.001  28.856
  291   HH12  ARG  36          HH21      ARG  36  50.736  21.559  28.049
  292   HH21  ARG  36          HH12      ARG  36  49.074  24.135  26.409
  293   HH22  ARG  36          HH11      ARG  36  50.573  23.221  26.454
  294    H    THR  37           H        THR  37  43.219  18.821  31.419
  295    HA   THR  37           HA       THR  37  42.035  18.411  33.346
  296    HB   THR  37           HB       THR  37  43.258  20.607  34.891
  297    HG1  THR  37           HG1      THR  37  44.724  18.302  34.082
  298   HG21  THR  37          HG21      THR  37  42.938  17.644  35.520
  299   HG22  THR  37          HG22      THR  37  41.841  18.926  36.058
  300   HG23  THR  37          HG23      THR  37  43.507  18.886  36.651
  301    H    LYS  38           H        LYS  38  41.136  20.550  31.449
  302    HA   LYS  38           HA       LYS  38  39.663  22.505  33.155
  303    HB2  LYS  38           HB2      LYS  38  40.122  22.033  30.255
  304    HB3  LYS  38           HB3      LYS  38  38.454  22.343  30.655
  305    HG2  LYS  38           HG2      LYS  38  39.788  24.378  29.963
  306    HG3  LYS  38           HG3      LYS  38  38.912  24.537  31.470
  307    HD2  LYS  38           HD2      LYS  38  41.057  25.597  31.655
  308    HD3  LYS  38           HD3      LYS  38  40.956  24.245  32.763
  309    HE2  LYS  38           HE2      LYS  38  42.243  22.839  31.105
  310    HE3  LYS  38           HE3      LYS  38  42.371  24.264  30.065
  311    HZ1  LYS  38           HZ1      LYS  38  44.320  24.455  31.237
  312    HZ2  LYS  38           HZ2      LYS  38  43.383  25.278  32.283
  313    HZ3  LYS  38           HZ3      LYS  38  43.754  23.671  32.550
  314    H    ASP  39           H        ASP  39  38.400  21.515  34.428
  315    HA   ASP  39           HA       ASP  39  37.384  19.031  33.983
  316    HB2  ASP  39           HB2      ASP  39  37.962  20.197  36.161
  317    HB3  ASP  39           HB3      ASP  39  36.430  21.034  36.073
  318    H    ILE  40           H        ILE  40  36.057  18.542  32.478
  319    HA   ILE  40           HA       ILE  40  33.994  20.471  31.687
  320    HB   ILE  40           HB       ILE  40  36.078  20.297  30.449
  321   HG12  ILE  40          HG12      ILE  40  33.487  20.470  29.290
  322   HG13  ILE  40          HG13      ILE  40  34.998  21.239  28.864
  323   HG21  ILE  40          HG21      ILE  40  35.242  17.495  29.633
  324   HG22  ILE  40          HG22      ILE  40  36.644  18.404  29.016
  325   HG23  ILE  40          HG23      ILE  40  36.590  17.943  30.693
  326   HD11  ILE  40          HD11      ILE  40  35.572  19.428  27.340
  327   HD12  ILE  40          HD12      ILE  40  34.075  18.556  27.789
  328   HD13  ILE  40          HD13      ILE  40  33.989  20.119  26.955
  329    H    THR  41           H        THR  41  32.053  20.109  31.039
  330    HA   THR  41           HA       THR  41  31.158  17.374  30.242
  331    HB   THR  41           HB       THR  41  29.939  19.243  32.230
  332    HG1  THR  41           HG1      THR  41  29.264  17.317  33.064
  333   HG21  THR  41          HG21      THR  41  28.181  17.710  30.278
  334   HG22  THR  41          HG22      THR  41  28.213  19.479  30.560
  335   HG23  THR  41          HG23      THR  41  27.651  18.389  31.833
  336    H    VAL  42           H        VAL  42  30.322  17.379  28.144
  337    HA   VAL  42           HA       VAL  42  29.399  19.996  27.094
  338    HB   VAL  42           HB       VAL  42  31.079  19.619  25.757
  339   HG11  VAL  42          HG11      VAL  42  31.853  17.649  24.688
  340   HG12  VAL  42          HG12      VAL  42  31.987  17.658  26.442
  341   HG13  VAL  42          HG13      VAL  42  30.681  16.698  25.652
  342   HG21  VAL  42          HG21      VAL  42  29.084  19.914  24.327
  343   HG22  VAL  42          HG22      VAL  42  30.368  19.005  23.528
  344   HG23  VAL  42          HG23      VAL  42  28.963  18.144  24.171
  345    H    HIS  43           H        HIS  43  27.537  20.367  26.436
  346    HA   HIS  43           HA       HIS  43  25.448  18.265  26.442
  347    HB2  HIS  43           HB2      HIS  43  25.206  20.473  27.721
  348    HB3  HIS  43           HB3      HIS  43  25.059  21.254  26.163
  349    HD1  HIS  43           HD1      HIS  43  23.049  19.080  28.588
  350    HD2  HIS  43           HD2      HIS  43  22.952  20.328  24.570
  351    HE1  HIS  43           HE1      HIS  43  20.710  18.600  27.748
  352    H    TYR  44           H        TYR  44  25.334  17.228  24.508
  353    HA   TYR  44           HA       TYR  44  25.851  18.653  21.984
  354    HB2  TYR  44           HB2      TYR  44  25.090  15.803  22.662
  355    HB3  TYR  44           HB3      TYR  44  25.177  16.423  21.012
  356    HD1  TYR  44           HD2      TYR  44  27.246  17.372  20.081
  357    HD2  TYR  44           HD1      TYR  44  27.219  15.268  23.835
  358    HE1  TYR  44           HE2      TYR  44  29.717  17.072  19.920
  359    HE2  TYR  44           HE1      TYR  44  29.714  15.047  23.721
  360    HH   TYR  44           HH       TYR  44  31.667  15.527  22.462
  361    H    VAL  45           H        VAL  45  24.354  20.266  21.735
  362    HA   VAL  45           HA       VAL  45  21.590  19.970  22.472
  363    HB   VAL  45           HB       VAL  45  21.155  22.092  21.337
  364   HG11  VAL  45          HG11      VAL  45  22.643  23.505  22.706
  365   HG12  VAL  45          HG12      VAL  45  22.018  22.135  23.625
  366   HG13  VAL  45          HG13      VAL  45  23.696  22.111  23.032
  367   HG21  VAL  45          HG21      VAL  45  22.610  21.916  19.402
  368   HG22  VAL  45          HG22      VAL  45  22.929  23.396  20.297
  369   HG23  VAL  45          HG23      VAL  45  24.061  22.032  20.435
  370    H    ASP  46           H        ASP  46  23.178  18.871  19.622
  371    HA   ASP  46           HA       ASP  46  20.892  18.773  17.877
  372    HB2  ASP  46           HB2      ASP  46  23.392  18.439  17.319
  373    HB3  ASP  46           HB3      ASP  46  23.200  16.791  17.915
  374    H    LYS  47           H        LYS  47  21.581  16.967  20.764
  375    HA   LYS  47           HA       LYS  47  20.379  14.442  19.938
  376    HB2  LYS  47           HB2      LYS  47  21.374  15.378  22.614
  377    HB3  LYS  47           HB3      LYS  47  20.819  13.757  22.207
  378    HG2  LYS  47           HG2      LYS  47  22.542  13.948  20.184
  379    HG3  LYS  47           HG3      LYS  47  23.274  15.201  21.196
  380    HD2  LYS  47           HD2      LYS  47  23.249  13.502  23.094
  381    HD3  LYS  47           HD3      LYS  47  22.656  12.334  21.886
  382    HE2  LYS  47           HE2      LYS  47  24.755  12.596  20.587
  383    HE3  LYS  47           HE3      LYS  47  25.325  13.826  21.722
  384    HZ1  LYS  47           HZ1      LYS  47  25.362  12.170  23.463
  385    HZ2  LYS  47           HZ2      LYS  47  24.766  11.007  22.463
  386    HZ3  LYS  47           HZ3      LYS  47  26.266  11.634  22.221
  387    H    MET  48           H        MET  48  18.894  17.319  21.187
  388    HA   MET  48           HA       MET  48  16.312  15.941  21.231
  389    HB2  MET  48           HB2      MET  48  15.623  16.704  23.427
  390    HB3  MET  48           HB3      MET  48  16.991  15.610  23.563
  391    HG2  MET  48           HG2      MET  48  18.479  17.336  24.172
  392    HG3  MET  48           HG3      MET  48  17.440  18.610  23.530
  393    HE1  MET  48           HE1      MET  48  18.056  19.933  25.719
  394    HE2  MET  48           HE2      MET  48  17.603  19.418  27.360
  395    HE3  MET  48           HE3      MET  48  18.884  18.558  26.478
  396    H    SER  49           H        SER  49  14.464  17.386  21.378
  397    HA   SER  49           HA       SER  49  14.688  19.621  19.648
  398    HB2  SER  49           HB2      SER  49  12.399  18.802  21.472
  399    HB3  SER  49           HB3      SER  49  12.306  19.981  20.146
  400    HG   SER  49           HG       SER  49  12.899  17.204  20.009
  401    H    GLU  50           H        GLU  50  14.522  19.640  23.262
  402    HA   GLU  50           HA       GLU  50  14.234  22.450  23.523
  403    HB2  GLU  50           HB2      GLU  50  14.525  20.331  25.268
  404    HB3  GLU  50           HB3      GLU  50  16.042  21.197  25.529
  405    HG2  GLU  50           HG2      GLU  50  14.960  23.160  26.281
  406    HG3  GLU  50           HG3      GLU  50  13.419  22.720  25.546
  407    H    GLY  51           H        GLY  51  16.988  20.691  22.363
  408    HA2  GLY  51           HA2      GLY  51  19.174  22.335  22.892
  409    HA3  GLY  51           HA3      GLY  51  18.917  21.363  21.445
  410    H    GLU  52           H        GLU  52  16.478  23.016  20.570
  411    HA   GLU  52           HA       GLU  52  17.860  25.023  19.038
  412    HB2  GLU  52           HB2      GLU  52  15.996  23.722  18.178
  413    HB3  GLU  52           HB3      GLU  52  15.036  24.055  19.607
  414    HG2  GLU  52           HG2      GLU  52  14.058  25.275  17.972
  415    HG3  GLU  52           HG3      GLU  52  14.904  26.419  19.000
  416    H    GLN  53           H        GLN  53  15.835  24.973  22.004
  417    HA   GLN  53           HA       GLN  53  15.729  27.878  22.284
  418    HB2  GLN  53           HB2      GLN  53  13.937  26.314  23.036
  419    HB3  GLN  53           HB3      GLN  53  15.040  25.664  24.258
  420    HG2  GLN  53           HG2      GLN  53  15.225  27.945  25.264
  421    HG3  GLN  53           HG3      GLN  53  14.079  28.557  24.067
  422   HE21  GLN  53          HE21      GLN  53  13.937  28.369  27.082
  423   HE22  GLN  53          HE22      GLN  53  12.523  27.352  27.405
  424    H    LEU  54           H        LEU  54  17.677  25.216  23.700
  425    HA   LEU  54           HA       LEU  54  19.266  26.845  25.470
  426    HB2  LEU  54           HB2      LEU  54  19.928  24.274  23.989
  427    HB3  LEU  54           HB3      LEU  54  20.976  24.993  25.151
  428    HG   LEU  54           HG       LEU  54  20.049  23.974  26.850
  429   HD11  LEU  54          HD11      LEU  54  17.195  24.528  25.997
  430   HD12  LEU  54          HD12      LEU  54  17.773  23.942  27.570
  431   HD13  LEU  54          HD13      LEU  54  18.158  25.576  27.076
  432   HD21  LEU  54          HD21      LEU  54  18.308  22.456  24.997
  433   HD22  LEU  54          HD22      LEU  54  20.048  22.171  25.263
  434   HD23  LEU  54          HD23      LEU  54  18.899  21.995  26.594
  435    H    ARG  55           H        ARG  55  19.710  25.980  21.999
  436    HA   ARG  55           HA       ARG  55  22.074  27.529  21.514
  437    HB2  ARG  55           HB2      ARG  55  21.448  25.680  20.173
  438    HB3  ARG  55           HB3      ARG  55  19.802  26.276  19.961
  439    HG2  ARG  55           HG2      ARG  55  20.408  27.906  18.444
  440    HG3  ARG  55           HG3      ARG  55  22.167  27.603  18.638
  441    HD2  ARG  55           HD2      ARG  55  21.920  25.323  17.793
  442    HD3  ARG  55           HD3      ARG  55  20.183  25.409  17.849
  443    HE   ARG  55           HE       ARG  55  20.132  26.801  15.906
  444   HH11  ARG  55          HH12      ARG  55  23.560  26.162  16.646
  445   HH12  ARG  55          HH11      ARG  55  23.960  26.400  14.963
  446   HH21  ARG  55          HH22      ARG  55  20.922  26.931  13.768
  447   HH22  ARG  55          HH21      ARG  55  22.680  26.945  13.551
  448    H    GLY  56           H        GLY  56  18.609  28.372  21.456
  449    HA2  GLY  56           HA2      GLY  56  18.821  31.064  20.561
  450    HA3  GLY  56           HA3      GLY  56  17.573  30.418  21.632
  451    H    GLU  57           H        GLU  57  19.169  29.762  23.942
  452    HA   GLU  57           HA       GLU  57  19.482  32.288  25.249
  453    HB2  GLU  57           HB2      GLU  57  20.692  29.596  25.906
  454    HB3  GLU  57           HB3      GLU  57  20.929  31.029  26.886
  455    HG2  GLU  57           HG2      GLU  57  18.317  29.567  26.400
  456    HG3  GLU  57           HG3      GLU  57  19.244  29.746  27.879
  457    H    ILE  58           H        ILE  58  21.891  30.240  23.611
  458    HA   ILE  58           HA       ILE  58  24.180  31.902  24.197
  459    HB   ILE  58           HB       ILE  58  23.767  29.839  21.993
  460   HG12  ILE  58          HG12      ILE  58  25.071  29.486  24.734
  461   HG13  ILE  58          HG13      ILE  58  23.439  28.964  24.341
  462   HG21  ILE  58          HG21      ILE  58  26.383  30.914  23.152
  463   HG22  ILE  58          HG22      ILE  58  26.207  29.705  21.861
  464   HG23  ILE  58          HG23      ILE  58  25.715  31.358  21.565
  465   HD11  ILE  58          HD11      ILE  58  24.825  27.052  24.224
  466   HD12  ILE  58          HD12      ILE  58  24.355  27.461  22.564
  467   HD13  ILE  58          HD13      ILE  58  25.990  27.850  23.158
  468    H    TYR  59           H        TYR  59  22.009  31.659  21.315
  469    HA   TYR  59           HA       TYR  59  23.453  33.594  19.825
  470    HB2  TYR  59           HB2      TYR  59  21.655  31.881  19.060
  471    HB3  TYR  59           HB3      TYR  59  20.491  33.149  19.430
  472    HD1  TYR  59           HD1      TYR  59  20.690  35.396  18.177
  473    HD2  TYR  59           HD2      TYR  59  23.107  31.975  17.213
  474    HE1  TYR  59           HE1      TYR  59  21.383  36.486  16.047
  475    HE2  TYR  59           HE2      TYR  59  23.815  33.058  15.069
  476    HH   TYR  59           HH       TYR  59  23.561  34.879  13.694
  477    H    GLN  60           H        GLN  60  20.709  34.048  22.092
  478    HA   GLN  60           HA       GLN  60  20.229  36.802  21.552
  479    HB2  GLN  60           HB2      GLN  60  19.917  35.078  24.030
  480    HB3  GLN  60           HB3      GLN  60  19.374  36.760  23.975
  481    HG2  GLN  60           HG2      GLN  60  17.737  36.314  22.299
  482    HG3  GLN  60           HG3      GLN  60  18.423  34.743  21.909
  483   HE21  GLN  60          HE21      GLN  60  16.181  33.903  22.263
  484   HE22  GLN  60          HE22      GLN  60  15.737  33.532  23.927
  485    H    ALA  61           H        ALA  61  22.561  35.343  23.898
  486    HA   ALA  61           HA       ALA  61  23.500  37.978  24.730
  487    HB1  ALA  61           HB1      ALA  61  23.336  36.136  26.304
  488    HB2  ALA  61           HB2      ALA  61  24.456  35.155  25.338
  489    HB3  ALA  61           HB3      ALA  61  25.033  36.631  26.144
  490    H    TYR  62           H        TYR  62  24.839  35.416  22.592
  491    HA   TYR  62           HA       TYR  62  27.289  37.076  22.194
  492    HB2  TYR  62           HB2      TYR  62  26.970  34.098  21.873
  493    HB3  TYR  62           HB3      TYR  62  28.467  35.030  21.854
  494    HD1  TYR  62           HD2      TYR  62  28.867  36.576  24.003
  495    HD2  TYR  62           HD1      TYR  62  26.293  33.122  23.898
  496    HE1  TYR  62           HE2      TYR  62  28.881  36.481  26.493
  497    HE2  TYR  62           HE1      TYR  62  26.309  33.027  26.378
  498    HH   TYR  62           HH       TYR  62  26.892  34.102  28.271
  499    H    LYS  63           H        LYS  63  24.527  36.283  20.433
  500    HA   LYS  63           HA       LYS  63  23.994  35.816  18.316
  501    HB2  LYS  63           HB2      LYS  63  25.884  38.166  18.002
  502    HB3  LYS  63           HB3      LYS  63  24.852  37.549  16.712
  503    HG2  LYS  63           HG2      LYS  63  23.650  39.289  17.620
  504    HG3  LYS  63           HG3      LYS  63  22.845  37.849  18.206
  505    HD2  LYS  63           HD2      LYS  63  23.858  38.255  20.465
  506    HD3  LYS  63           HD3      LYS  63  24.702  39.678  19.810
  507    HE2  LYS  63           HE2      LYS  63  22.479  40.662  19.216
  508    HE3  LYS  63           HE3      LYS  63  21.680  39.232  19.885
  509    HZ1  LYS  63           HZ1      LYS  63  23.305  41.180  21.431
  510    HZ2  LYS  63           HZ2      LYS  63  21.673  40.974  21.513
  511    HZ3  LYS  63           HZ3      LYS  63  22.625  39.787  22.054
  512    H    HIS  64           H        HIS  64  25.591  33.904  19.140
  513    HA   HIS  64           HA       HIS  64  26.919  32.963  16.648
  514    HB2  HIS  64           HB2      HIS  64  27.892  32.724  19.518
  515    HB3  HIS  64           HB3      HIS  64  28.333  31.542  18.289
  516    HD1  HIS  64           HD1      HIS  64  28.694  35.396  18.746
  517    HD2  HIS  64           HD2      HIS  64  30.380  32.067  16.798
  518    HE1  HIS  64           HE1      HIS  64  30.793  36.238  17.559
  519    H    GLU  65           H        GLU  65  26.494  30.861  16.118
  520    HA   GLU  65           HA       GLU  65  24.251  29.534  17.593
  521    HB2  GLU  65           HB2      GLU  65  23.361  28.816  15.472
  522    HB3  GLU  65           HB3      GLU  65  23.465  30.536  15.588
  523    HG2  GLU  65           HG2      GLU  65  24.036  30.032  13.389
  524    HG3  GLU  65           HG3      GLU  65  25.524  30.525  14.186
  525    H    THR  66           H        THR  66  27.263  28.938  15.839
  526    HA   THR  66           HA       THR  66  27.844  26.676  17.614
  527    HB   THR  66           HB       THR  66  28.621  25.177  15.873
  528    HG1  THR  66           HG1      THR  66  27.341  26.939  14.049
  529   HG21  THR  66          HG21      THR  66  26.293  24.870  16.767
  530   HG22  THR  66          HG22      THR  66  26.641  24.115  15.207
  531   HG23  THR  66          HG23      THR  66  25.722  25.620  15.257
  532    H    VAL  67           H        VAL  67  30.041  26.220  17.710
  533    HA   VAL  67           HA       VAL  67  31.902  27.514  15.978
  534    HB   VAL  67           HB       VAL  67  32.999  28.251  18.531
  535   HG11  VAL  67          HG11      VAL  67  32.236  29.887  16.097
  536   HG12  VAL  67          HG12      VAL  67  33.356  30.371  17.388
  537   HG13  VAL  67          HG13      VAL  67  33.760  29.008  16.335
  538   HG21  VAL  67          HG21      VAL  67  30.461  29.802  17.882
  539   HG22  VAL  67          HG22      VAL  67  30.661  28.730  19.288
  540   HG23  VAL  67          HG23      VAL  67  31.663  30.174  19.127
  541    HA   PRO  68           HA       PRO  68  30.345  25.242  18.916
  542    HB2  PRO  68           HB2      PRO  68  31.111  23.784  21.060
  543    HB3  PRO  68           HB3      PRO  68  30.903  23.064  19.436
  544    HG2  PRO  68           HG2      PRO  68  33.482  24.050  20.718
  545    HG3  PRO  68           HG3      PRO  68  33.153  22.437  19.997
  546    HD2  PRO  68           HD2      PRO  68  34.341  24.373  18.538
  547    HD3  PRO  68           HD3      PRO  68  33.087  23.328  17.805
  548    H    ALA  69           H        ALA  69  29.614  25.800  21.169
  549    HA   ALA  69           HA       ALA  69  30.942  28.326  22.003
  550    HB1  ALA  69           HB1      ALA  69  28.780  28.684  23.211
  551    HB2  ALA  69           HB2      ALA  69  28.560  28.418  21.468
  552    HB3  ALA  69           HB3      ALA  69  28.221  27.110  22.623
  553    H    ILE  70           H        ILE  70  32.140  28.496  23.826
  554    HA   ILE  70           HA       ILE  70  32.276  26.146  25.669
  555    HB   ILE  70           HB       ILE  70  34.444  27.941  24.519
  556   HG12  ILE  70          HG12      ILE  70  34.384  24.926  24.235
  557   HG13  ILE  70          HG13      ILE  70  33.424  25.906  23.141
  558   HG21  ILE  70          HG21      ILE  70  36.078  26.502  25.736
  559   HG22  ILE  70          HG22      ILE  70  35.070  27.460  26.811
  560   HG23  ILE  70          HG23      ILE  70  34.733  25.729  26.594
  561   HD11  ILE  70          HD11      ILE  70  35.391  27.146  22.391
  562   HD12  ILE  70          HD12      ILE  70  36.423  26.208  23.488
  563   HD13  ILE  70          HD13      ILE  70  35.590  25.401  22.148
  564    H    PHE  71           H        PHE  71  32.230  26.523  27.841
  565    HA   PHE  71           HA       PHE  71  32.402  29.342  28.763
  566    HB2  PHE  71           HB2      PHE  71  30.340  27.265  29.559
  567    HB3  PHE  71           HB3      PHE  71  30.556  28.833  30.319
  568    HD1  PHE  71           HD2      PHE  71  29.625  27.196  27.076
  569    HD2  PHE  71           HD1      PHE  71  29.443  30.757  29.502
  570    HE1  PHE  71           HE2      PHE  71  27.962  28.190  25.511
  571    HE2  PHE  71           HE1      PHE  71  27.735  31.705  27.977
  572    HZ   PHE  71           HZ       PHE  71  27.003  30.423  25.973
  573    H    ILE  72           H        ILE  72  33.242  29.734  30.732
  574    HA   ILE  72           HA       ILE  72  34.038  27.471  32.504
  575    HB   ILE  72           HB       ILE  72  35.777  29.864  31.776
  576   HG12  ILE  72          HG12      ILE  72  36.066  26.843  31.401
  577   HG13  ILE  72          HG13      ILE  72  35.912  28.054  30.134
  578   HG21  ILE  72          HG21      ILE  72  36.207  27.720  33.925
  579   HG22  ILE  72          HG22      ILE  72  37.396  28.956  33.450
  580   HG23  ILE  72          HG23      ILE  72  35.909  29.449  34.211
  581   HD11  ILE  72          HD11      ILE  72  38.181  27.305  30.178
  582   HD12  ILE  72          HD12      ILE  72  38.159  28.967  30.797
  583   HD13  ILE  72          HD13      ILE  72  38.339  27.585  31.913
  584    H    ASN  73           H        ASN  73  33.215  27.742  34.508
  585    HA   ASN  73           HA       ASN  73  31.911  28.649  36.170
  586    HB2  ASN  73           HB2      ASN  73  34.091  30.725  35.900
  587    HB3  ASN  73           HB3      ASN  73  33.086  30.518  37.327
  588   HD21  ASN  73          HD21      ASN  73  36.064  30.177  36.776
  589   HD22  ASN  73          HD22      ASN  73  36.407  28.613  37.540
  590    H    GLY  74           H        GLY  74  30.591  29.275  33.773
  591    HA2  GLY  74           HA2      GLY  74  28.644  30.499  33.258
  592    HA3  GLY  74           HA3      GLY  74  29.014  31.623  34.556
  593    H    ASN  75           H        ASN  75  31.829  31.579  32.779
  594    HA   ASN  75           HA       ASN  75  31.112  34.007  31.208
  595    HB2  ASN  75           HB2      ASN  75  33.752  32.847  32.186
  596    HB3  ASN  75           HB3      ASN  75  33.629  34.289  31.223
  597   HD21  ASN  75          HD21      ASN  75  34.348  33.498  34.204
  598   HD22  ASN  75          HD22      ASN  75  33.668  34.866  35.059
  599    H    PHE  76           H        PHE  76  31.535  34.163  28.993
  600    HA   PHE  76           HA       PHE  76  31.703  31.596  27.546
  601    HB2  PHE  76           HB2      PHE  76  29.772  32.925  27.159
  602    HB3  PHE  76           HB3      PHE  76  30.730  34.370  26.869
  603    HD1  PHE  76           HD2      PHE  76  30.162  30.923  25.454
  604    HD2  PHE  76           HD1      PHE  76  31.298  35.010  24.689
  605    HE1  PHE  76           HE2      PHE  76  30.203  30.470  23.014
  606    HE2  PHE  76           HE1      PHE  76  31.329  34.551  22.253
  607    HZ   PHE  76           HZ       PHE  76  30.762  32.282  21.407
  608    H    ILE  77           H        ILE  77  33.048  31.000  26.033
  609    HA   ILE  77           HA       ILE  77  34.884  32.894  24.672
  610    HB   ILE  77           HB       ILE  77  35.568  30.117  25.711
  611   HG12  ILE  77          HG12      ILE  77  35.811  31.839  27.444
  612   HG13  ILE  77          HG13      ILE  77  37.347  31.139  26.984
  613   HG21  ILE  77          HG21      ILE  77  37.170  31.893  23.833
  614   HG22  ILE  77          HG22      ILE  77  37.836  30.492  24.693
  615   HG23  ILE  77          HG23      ILE  77  36.547  30.263  23.512
  616   HD11  ILE  77          HD11      ILE  77  37.943  33.144  25.694
  617   HD12  ILE  77          HD12      ILE  77  36.351  33.861  26.020
  618   HD13  ILE  77          HD13      ILE  77  37.484  33.585  27.346
  619    H    GLY  78           H        GLY  78  34.670  32.772  22.483
  620    HA2  GLY  78           HA2      GLY  78  33.338  30.319  21.323
  621    HA3  GLY  78           HA3      GLY  78  33.224  31.933  20.648
  622    H    GLY  79           H        GLY  79  34.826  29.050  20.504
  623    HA2  GLY  79           HA2      GLY  79  35.704  28.607  18.229
  624    HA3  GLY  79           HA3      GLY  79  36.707  30.041  18.406
  625    H    CYS  80           H        CYS  80  37.275  26.999  18.110
  626    HA   CYS  80           HA       CYS  80  38.621  26.214  20.529
  627    HB2  CYS  80           HB2      CYS  80  37.811  24.701  18.676
  628    HB3  CYS  80           HB3      CYS  80  39.200  25.222  17.713
  629    HG   CYS  80           HG       CYS  80  41.046  24.530  19.472
  630    H    SER  81           H        SER  81  39.842  27.925  17.584
  631    HA   SER  81           HA       SER  81  42.518  28.260  18.470
  632    HB2  SER  81           HB2      SER  81  40.886  30.299  16.928
  633    HB3  SER  81           HB3      SER  81  42.644  30.147  16.971
  634    HG   SER  81           HG       SER  81  41.856  29.231  15.097
  635    H    ASP  82           H        ASP  82  39.574  30.019  19.398
  636    HA   ASP  82           HA       ASP  82  40.867  32.191  20.788
  637    HB2  ASP  82           HB2      ASP  82  38.434  31.776  19.760
  638    HB3  ASP  82           HB3      ASP  82  38.023  31.280  21.374
  639    H    LEU  83           H        LEU  83  39.503  29.116  21.770
  640    HA   LEU  83           HA       LEU  83  40.126  29.213  24.595
  641    HB2  LEU  83           HB2      LEU  83  38.506  27.628  23.727
  642    HB3  LEU  83           HB3      LEU  83  39.671  26.970  22.591
  643    HG   LEU  83           HG       LEU  83  41.021  26.065  24.484
  644   HD11  LEU  83          HD11      LEU  83  40.279  27.561  26.295
  645   HD12  LEU  83          HD12      LEU  83  38.622  26.931  26.160
  646   HD13  LEU  83          HD13      LEU  83  39.945  25.875  26.708
  647   HD21  LEU  83          HD21      LEU  83  39.349  24.704  23.250
  648   HD22  LEU  83          HD22      LEU  83  39.606  24.179  24.917
  649   HD23  LEU  83          HD23      LEU  83  38.145  25.101  24.498
  650    H    GLU  84           H        GLU  84  41.924  27.841  21.797
  651    HA   GLU  84           HA       GLU  84  44.242  26.970  23.224
  652    HB2  GLU  84           HB2      GLU  84  43.815  27.874  20.342
  653    HB3  GLU  84           HB3      GLU  84  45.353  27.245  20.937
  654    HG2  GLU  84           HG2      GLU  84  44.470  25.110  21.404
  655    HG3  GLU  84           HG3      GLU  84  42.802  25.630  21.237
  656    H    ALA  85           H        ALA  85  43.376  30.193  21.922
  657    HA   ALA  85           HA       ALA  85  45.923  31.399  22.246
  658    HB1  ALA  85           HB1      ALA  85  44.124  32.402  20.902
  659    HB2  ALA  85           HB2      ALA  85  43.122  32.626  22.348
  660    HB3  ALA  85           HB3      ALA  85  44.633  33.529  22.168
  661    H    LEU  86           H        LEU  86  43.269  30.997  24.613
  662    HA   LEU  86           HA       LEU  86  44.529  32.526  26.747
  663    HB2  LEU  86           HB2      LEU  86  42.442  30.294  26.732
  664    HB3  LEU  86           HB3      LEU  86  42.978  31.099  28.198
  665    HG   LEU  86           HG       LEU  86  41.600  32.511  25.882
  666   HD11  LEU  86          HD11      LEU  86  40.105  30.939  27.018
  667   HD12  LEU  86          HD12      LEU  86  40.575  31.598  28.606
  668   HD13  LEU  86          HD13      LEU  86  39.685  32.603  27.448
  669   HD21  LEU  86          HD21      LEU  86  41.319  34.339  27.569
  670   HD22  LEU  86          HD22      LEU  86  42.350  33.443  28.697
  671   HD23  LEU  86          HD23      LEU  86  43.013  34.069  27.159
  672    H    ASP  87           H        ASP  87  44.778  29.164  25.630
  673    HA   ASP  87           HA       ASP  87  46.265  28.219  27.904
  674    HB2  ASP  87           HB2      ASP  87  45.043  26.806  26.192
  675    HB3  ASP  87           HB3      ASP  87  46.388  27.076  25.098
  676    H    LYS  88           H        LYS  88  47.258  29.605  24.779
  677    HA   LYS  88           HA       LYS  88  50.108  29.539  25.356
  678    HB2  LYS  88           HB2      LYS  88  48.445  31.012  23.280
  679    HB3  LYS  88           HB3      LYS  88  50.163  31.320  23.488
  680    HG2  LYS  88           HG2      LYS  88  50.098  29.813  21.768
  681    HG3  LYS  88           HG3      LYS  88  50.605  28.843  23.156
  682    HD2  LYS  88           HD2      LYS  88  48.287  27.965  23.377
  683    HD3  LYS  88           HD3      LYS  88  47.775  29.011  22.038
  684    HE2  LYS  88           HE2      LYS  88  49.731  26.689  21.860
  685    HE3  LYS  88           HE3      LYS  88  48.049  26.721  21.305
  686    HZ1  LYS  88           HZ1      LYS  88  48.728  28.600  19.822
  687    HZ2  LYS  88           HZ2      LYS  88  50.316  28.239  20.181
  688    HZ3  LYS  88           HZ3      LYS  88  49.362  27.131  19.438
  689    H    GLU  89           H        GLU  89  47.647  31.999  26.121
  690    HA   GLU  89           HA       GLU  89  49.687  33.888  27.085
  691    HB2  GLU  89           HB2      GLU  89  46.656  33.802  27.426
  692    HB3  GLU  89           HB3      GLU  89  47.684  35.012  28.187
  693    HG2  GLU  89           HG2      GLU  89  48.581  35.553  25.847
  694    HG3  GLU  89           HG3      GLU  89  47.207  34.637  25.231
  695    H    GLY  90           H        GLY  90  48.700  30.937  28.372
  696    HA2  GLY  90           HA2      GLY  90  49.376  30.006  30.408
  697    HA3  GLY  90           HA3      GLY  90  49.955  31.588  30.930
  698    H    LYS  91           H        LYS  91  46.747  31.922  29.835
  699    HA   LYS  91           HA       LYS  91  45.805  32.311  32.615
  700    HB2  LYS  91           HB2      LYS  91  44.900  33.163  29.835
  701    HB3  LYS  91           HB3      LYS  91  43.883  33.336  31.251
  702    HG2  LYS  91           HG2      LYS  91  45.802  34.628  32.359
  703    HG3  LYS  91           HG3      LYS  91  46.555  34.695  30.758
  704    HD2  LYS  91           HD2      LYS  91  43.759  35.711  31.475
  705    HD3  LYS  91           HD3      LYS  91  45.197  36.724  31.313
  706    HE2  LYS  91           HE2      LYS  91  45.417  36.164  28.951
  707    HE3  LYS  91           HE3      LYS  91  44.088  34.999  29.050
  708    HZ1  LYS  91           HZ1      LYS  91  42.549  36.750  29.429
  709    HZ2  LYS  91           HZ2      LYS  91  43.716  37.872  29.657
  710    HZ3  LYS  91           HZ3      LYS  91  43.469  37.234  28.165
  711    H    LEU  92           H        LEU  92  45.432  29.903  30.129
  712    HA   LEU  92           HA       LEU  92  42.797  29.037  31.158
  713    HB2  LEU  92           HB2      LEU  92  43.697  28.803  28.730
  714    HB3  LEU  92           HB3      LEU  92  44.746  27.536  29.361
  715    HG   LEU  92           HG       LEU  92  42.713  26.326  30.151
  716   HD11  LEU  92          HD11      LEU  92  40.517  26.902  29.098
  717   HD12  LEU  92          HD12      LEU  92  41.049  28.126  30.253
  718   HD13  LEU  92          HD13      LEU  92  41.229  28.417  28.511
  719   HD21  LEU  92          HD21      LEU  92  42.074  25.472  27.932
  720   HD22  LEU  92          HD22      LEU  92  42.806  26.901  27.171
  721   HD23  LEU  92          HD23      LEU  92  43.823  25.730  28.042
  722    H    ASP  93           H        ASP  93  46.134  28.367  31.776
  723    HA   ASP  93           HA       ASP  93  45.686  26.281  33.768
  724    HB2  ASP  93           HB2      ASP  93  47.915  28.267  33.162
  725    HB3  ASP  93           HB3      ASP  93  47.936  27.241  34.585
  726    H    GLY  94           H        GLY  94  46.105  29.881  33.965
  727    HA2  GLY  94           HA2      GLY  94  45.609  30.183  36.706
  728    HA3  GLY  94           HA3      GLY  94  45.217  31.390  35.476
  729    H    LEU  95           H        LEU  95  43.207  30.058  34.069
  730    HA   LEU  95           HA       LEU  95  40.911  30.556  35.640
  731    HB2  LEU  95           HB2      LEU  95  41.398  29.328  32.926
  732    HB3  LEU  95           HB3      LEU  95  39.775  29.364  33.587
  733    HG   LEU  95           HG       LEU  95  41.446  31.897  33.387
  734   HD11  LEU  95          HD11      LEU  95  40.247  32.406  31.317
  735   HD12  LEU  95          HD12      LEU  95  41.196  30.926  31.127
  736   HD13  LEU  95          HD13      LEU  95  39.432  30.830  31.366
  737   HD21  LEU  95          HD21      LEU  95  39.241  33.001  33.444
  738   HD22  LEU  95          HD22      LEU  95  38.437  31.425  33.599
  739   HD23  LEU  95          HD23      LEU  95  39.490  32.033  34.894
  740    H    LEU  96           H        LEU  96  42.647  27.527  35.290
  741    HA   LEU  96           HA       LEU  96  40.671  25.721  36.327
  742    HB2  LEU  96           HB2      LEU  96  43.662  25.841  36.891
  743    HB3  LEU  96           HB3      LEU  96  42.627  24.507  37.360
  744    HG   LEU  96           HG       LEU  96  42.899  25.291  34.453
  745   HD11  LEU  96          HD11      LEU  96  44.502  23.268  36.096
  746   HD12  LEU  96          HD12      LEU  96  44.578  23.416  34.335
  747   HD13  LEU  96          HD13      LEU  96  45.147  24.741  35.369
  748   HD21  LEU  96          HD21      LEU  96  42.084  22.743  35.920
  749   HD22  LEU  96          HD22      LEU  96  40.979  23.840  35.079
  750   HD23  LEU  96          HD23      LEU  96  42.204  22.924  34.169
  751    H    SER  97           H        SER  97  42.305  28.316  38.009
  752    HA   SER  97           HA       SER  97  41.237  27.420  40.665
  753    HB2  SER  97           HB2      SER  97  43.565  29.288  40.118
  754    HB3  SER  97           HB3      SER  97  42.947  28.787  41.701
  755    HG   SER  97           HG       SER  97  44.372  27.324  39.760
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1   8.641  33.988  30.949
    2    H2   GLY   1           H2       GLY   1   7.760  33.856  32.335
    3    H3   GLY   1           H3       GLY   1   7.900  32.565  31.334
    4    HA2  GLY   1           HA2      GLY   1  10.151  33.803  32.779
    5    HA3  GLY   1           HA3      GLY   1   9.307  32.317  33.278
    6    H    ALA   2           H        ALA   2  11.877  33.551  31.388
    7    HA   ALA   2           HA       ALA   2  12.270  30.882  30.092
    8    HB1  ALA   2           HB1      ALA   2  12.471  33.612  28.750
    9    HB2  ALA   2           HB2      ALA   2  12.823  32.045  27.994
   10    HB3  ALA   2           HB3      ALA   2  11.171  32.425  28.509
   11    H    MET   3           H        MET   3  13.810  33.605  31.698
   12    HA   MET   3           HA       MET   3  16.457  33.185  30.855
   13    HB2  MET   3           HB2      MET   3  15.774  35.161  31.988
   14    HB3  MET   3           HB3      MET   3  15.378  34.300  33.469
   15    HG2  MET   3           HG2      MET   3  18.186  34.257  32.331
   16    HG3  MET   3           HG3      MET   3  17.606  35.615  33.292
   17    HE1  MET   3           HE1      MET   3  19.799  35.177  34.833
   18    HE2  MET   3           HE2      MET   3  20.101  33.631  35.657
   19    HE3  MET   3           HE3      MET   3  20.196  33.723  33.888
   20    HA   PRO   4           HA       PRO   4  17.176  30.023  34.403
   21    HB2  PRO   4           HB2      PRO   4  14.463  28.744  34.694
   22    HB3  PRO   4           HB3      PRO   4  15.718  29.042  35.939
   23    HG2  PRO   4           HG2      PRO   4  13.575  30.669  35.781
   24    HG3  PRO   4           HG3      PRO   4  15.210  31.395  35.962
   25    HD2  PRO   4           HD2      PRO   4  13.639  30.956  33.392
   26    HD3  PRO   4           HD3      PRO   4  14.379  32.458  34.006
   27    H    SER   5           H        SER   5  16.903  29.675  31.446
   28    HA   SER   5           HA       SER   5  16.747  26.758  31.071
   29    HB2  SER   5           HB2      SER   5  17.300  29.020  29.150
   30    HB3  SER   5           HB3      SER   5  17.416  27.324  28.682
   31    HG   SER   5           HG       SER   5  15.325  28.695  28.546
   32    H    ILE   6           H        ILE   6  19.392  28.180  29.362
   33    HA   ILE   6           HA       ILE   6  20.993  26.049  30.475
   34    HB   ILE   6           HB       ILE   6  22.560  26.377  28.929
   35   HG12  ILE   6          HG12      ILE   6  21.600  29.151  28.333
   36   HG13  ILE   6          HG13      ILE   6  23.158  28.706  28.997
   37   HG21  ILE   6          HG21      ILE   6  20.260  25.643  28.256
   38   HG22  ILE   6          HG22      ILE   6  20.082  27.223  27.441
   39   HG23  ILE   6          HG23      ILE   6  21.377  26.098  26.962
   40   HD11  ILE   6          HD11      ILE   6  22.247  27.929  26.172
   41   HD12  ILE   6          HD12      ILE   6  23.254  29.333  26.578
   42   HD13  ILE   6          HD13      ILE   6  23.839  27.695  26.884
   43    H    ALA   7           H        ALA   7  20.693  29.374  31.078
   44    HA   ALA   7           HA       ALA   7  23.225  30.167  31.983
   45    HB1  ALA   7           HB1      ALA   7  21.315  31.692  31.667
   46    HB2  ALA   7           HB2      ALA   7  20.501  30.997  33.090
   47    HB3  ALA   7           HB3      ALA   7  22.022  31.895  33.278
   48    H    SER   8           H        SER   8  20.758  28.388  33.879
   49    HA   SER   8           HA       SER   8  22.236  28.408  36.348
   50    HB2  SER   8           HB2      SER   8  19.940  26.692  35.374
   51    HB3  SER   8           HB3      SER   8  20.585  26.690  37.038
   52    HG   SER   8           HG       SER   8  18.949  28.178  37.001
   53    H    MET   9           H        MET   9  22.337  26.228  33.555
   54    HA   MET   9           HA       MET   9  23.727  24.022  34.749
   55    HB2  MET   9           HB2      MET   9  24.159  25.078  31.924
   56    HB3  MET   9           HB3      MET   9  24.424  23.451  32.515
   57    HG2  MET   9           HG2      MET   9  21.998  23.128  32.785
   58    HG3  MET   9           HG3      MET   9  21.705  24.785  32.256
   59    HE1  MET   9           HE1      MET   9  19.999  23.970  30.312
   60    HE2  MET   9           HE2      MET   9  20.388  22.607  29.239
   61    HE3  MET   9           HE3      MET   9  20.253  22.351  30.995
   62    H    ILE  10           H        ILE  10  24.840  27.165  33.453
   63    HA   ILE  10           HA       ILE  10  27.596  26.526  33.326
   64    HB   ILE  10           HB       ILE  10  26.675  29.361  33.795
   65   HG12  ILE  10          HG12      ILE  10  25.027  28.556  32.200
   66   HG13  ILE  10          HG13      ILE  10  26.146  29.656  31.437
   67   HG21  ILE  10          HG21      ILE  10  28.440  29.794  32.084
   68   HG22  ILE  10          HG22      ILE  10  29.054  28.995  33.538
   69   HG23  ILE  10          HG23      ILE  10  28.813  28.051  32.071
   70   HD11  ILE  10          HD11      ILE  10  27.307  27.769  30.331
   71   HD12  ILE  10          HD12      ILE  10  26.228  26.616  31.147
   72   HD13  ILE  10          HD13      ILE  10  25.576  27.762  29.967
   73    H    LYS  11           H        LYS  11  25.676  27.365  36.081
   74    HA   LYS  11           HA       LYS  11  28.035  27.939  37.809
   75    HB2  LYS  11           HB2      LYS  11  25.047  27.875  38.432
   76    HB3  LYS  11           HB3      LYS  11  26.317  28.243  39.581
   77    HG2  LYS  11           HG2      LYS  11  25.595  30.334  39.027
   78    HG3  LYS  11           HG3      LYS  11  27.020  30.170  37.995
   79    HD2  LYS  11           HD2      LYS  11  25.600  29.752  36.047
   80    HD3  LYS  11           HD3      LYS  11  24.157  29.645  37.080
   81    HE2  LYS  11           HE2      LYS  11  24.510  32.025  37.734
   82    HE3  LYS  11           HE3      LYS  11  25.871  32.123  36.605
   83    HZ1  LYS  11           HZ1      LYS  11  23.797  32.916  35.567
   84    HZ2  LYS  11           HZ2      LYS  11  24.350  31.585  34.811
   85    HZ3  LYS  11           HZ3      LYS  11  23.069  31.469  35.845
   86    H    GLY  12           H        GLY  12  26.368  25.153  36.789
   87    HA2  GLY  12           HA2      GLY  12  26.534  23.577  39.214
   88    HA3  GLY  12           HA3      GLY  12  26.210  22.999  37.576
   89    H    ASN  13           H        ASN  13  28.728  24.047  36.438
   90    HA   ASN  13           HA       ASN  13  30.836  22.453  37.806
   91    HB2  ASN  13           HB2      ASN  13  29.829  22.125  34.944
   92    HB3  ASN  13           HB3      ASN  13  31.422  21.577  35.457
   93   HD21  ASN  13          HD21      ASN  13  27.973  20.872  35.662
   94   HD22  ASN  13          HD22      ASN  13  28.223  19.341  36.510
   95    H    LYS  14           H        LYS  14  32.983  22.839  37.054
   96    HA   LYS  14           HA       LYS  14  33.698  25.596  36.904
   97    HB2  LYS  14           HB2      LYS  14  35.105  23.662  37.761
   98    HB3  LYS  14           HB3      LYS  14  35.360  23.182  36.094
   99    HG2  LYS  14           HG2      LYS  14  37.281  24.379  36.364
  100    HG3  LYS  14           HG3      LYS  14  36.238  25.683  35.797
  101    HD2  LYS  14           HD2      LYS  14  37.362  26.600  37.645
  102    HD3  LYS  14           HD3      LYS  14  35.749  26.167  38.257
  103    HE2  LYS  14           HE2      LYS  14  37.050  23.882  38.874
  104    HE3  LYS  14           HE3      LYS  14  38.457  24.969  38.810
  105    HZ1  LYS  14           HZ1      LYS  14  36.040  25.391  40.477
  106    HZ2  LYS  14           HZ2      LYS  14  37.481  24.874  41.061
  107    HZ3  LYS  14           HZ3      LYS  14  37.334  26.393  40.426
  108    H    VAL  15           H        VAL  15  33.793  23.123  34.277
  109    HA   VAL  15           HA       VAL  15  33.586  25.341  32.292
  110    HB   VAL  15           HB       VAL  15  35.054  22.724  31.879
  111   HG11  VAL  15          HG11      VAL  15  35.838  23.810  29.794
  112   HG12  VAL  15          HG12      VAL  15  34.093  23.554  29.790
  113   HG13  VAL  15          HG13      VAL  15  34.737  25.171  30.097
  114   HG21  VAL  15          HG21      VAL  15  35.981  25.529  32.528
  115   HG22  VAL  15          HG22      VAL  15  36.413  24.012  33.335
  116   HG23  VAL  15          HG23      VAL  15  37.040  24.373  31.715
  117    H    VAL  16           H        VAL  16  31.992  25.303  30.865
  118    HA   VAL  16           HA       VAL  16  30.401  22.809  30.531
  119    HB   VAL  16           HB       VAL  16  29.188  25.558  30.880
  120   HG11  VAL  16          HG11      VAL  16  27.868  24.202  29.299
  121   HG12  VAL  16          HG12      VAL  16  27.918  22.819  30.420
  122   HG13  VAL  16          HG13      VAL  16  27.036  24.295  30.854
  123   HG21  VAL  16          HG21      VAL  16  29.224  23.069  32.650
  124   HG22  VAL  16          HG22      VAL  16  29.879  24.674  33.050
  125   HG23  VAL  16          HG23      VAL  16  28.135  24.438  32.900
  126    H    VAL  17           H        VAL  17  29.963  22.250  28.444
  127    HA   VAL  17           HA       VAL  17  30.565  24.232  26.282
  128    HB   VAL  17           HB       VAL  17  31.586  21.373  26.525
  129   HG11  VAL  17          HG11      VAL  17  31.769  23.215  24.102
  130   HG12  VAL  17          HG12      VAL  17  32.646  21.685  24.321
  131   HG13  VAL  17          HG13      VAL  17  30.898  21.665  24.181
  132   HG21  VAL  17          HG21      VAL  17  32.949  23.046  27.663
  133   HG22  VAL  17          HG22      VAL  17  33.755  22.517  26.181
  134   HG23  VAL  17          HG23      VAL  17  32.926  24.080  26.216
  135    H    PHE  18           H        PHE  18  29.435  24.139  24.394
  136    HA   PHE  18           HA       PHE  18  27.208  22.140  24.195
  137    HB2  PHE  18           HB2      PHE  18  27.121  25.023  23.267
  138    HB3  PHE  18           HB3      PHE  18  25.851  23.829  23.089
  139    HD1  PHE  18           HD2      PHE  18  27.604  26.072  25.460
  140    HD2  PHE  18           HD1      PHE  18  24.420  23.201  24.992
  141    HE1  PHE  18           HE2      PHE  18  26.613  26.806  27.617
  142    HE2  PHE  18           HE1      PHE  18  23.428  23.957  27.144
  143    HZ   PHE  18           HZ       PHE  18  24.508  25.809  28.426
  144    H    SER  19           H        SER  19  27.487  20.814  22.504
  145    HA   SER  19           HA       SER  19  28.955  21.717  20.057
  146    HB2  SER  19           HB2      SER  19  29.462  19.036  21.391
  147    HB3  SER  19           HB3      SER  19  30.246  19.704  19.989
  148    HG   SER  19           HG       SER  19  31.339  19.809  22.106
  149    H    TRP  20           H        TRP  20  28.926  20.044  18.320
  150    HA   TRP  20           HA       TRP  20  26.478  18.346  18.168
  151    HB2  TRP  20           HB2      TRP  20  27.791  20.013  15.987
  152    HB3  TRP  20           HB3      TRP  20  26.875  18.567  15.626
  153    HD1  TRP  20           HD1      TRP  20  24.869  20.007  18.223
  154    HE1  TRP  20           HE1      TRP  20  22.860  21.306  17.221
  155    HE3  TRP  20           HE3      TRP  20  26.518  20.533  13.405
  156    HZ2  TRP  20           HZ2      TRP  20  22.056  22.330  14.693
  157    HZ3  TRP  20           HZ3      TRP  20  25.078  21.627  11.703
  158    HH2  TRP  20           HH2      TRP  20  22.845  22.519  12.327
  159    H    VAL  21           H        VAL  21  27.018  16.247  17.991
  160    HA   VAL  21           HA       VAL  21  29.791  15.462  17.319
  161    HB   VAL  21           HB       VAL  21  28.993  13.115  17.883
  162   HG11  VAL  21          HG11      VAL  21  30.587  14.396  19.214
  163   HG12  VAL  21          HG12      VAL  21  29.262  15.256  20.026
  164   HG13  VAL  21          HG13      VAL  21  29.481  13.509  20.273
  165   HG21  VAL  21          HG21      VAL  21  27.222  12.903  19.521
  166   HG22  VAL  21          HG22      VAL  21  26.867  14.638  19.460
  167   HG23  VAL  21          HG23      VAL  21  26.537  13.598  18.050
  168    H    THR  22           H        THR  22  28.972  14.178  14.068
  169    HA   THR  22           HA       THR  22  31.095  15.206  15.881
  170    HB   THR  22           HB       THR  22  32.605  14.599  13.996
  171    HG1  THR  22           HG1      THR  22  31.921  13.566  12.352
  172   HG21  THR  22          HG21      THR  22  32.618  12.194  14.532
  173   HG22  THR  22          HG22      THR  22  31.006  12.339  15.272
  174   HG23  THR  22          HG23      THR  22  32.399  13.181  15.983
  175    H    CYS  23           H        CYS  23  32.229  17.016  15.436
  176    HA   CYS  23           HA       CYS  23  31.522  18.671  13.088
  177    HB2  CYS  23           HB2      CYS  23  30.024  19.509  14.812
  178    HB3  CYS  23           HB3      CYS  23  31.337  19.561  15.987
  179    HG   CYS  23           HG       CYS  23  30.739  21.405  13.312
  180    HA   PRO  24           HA       PRO  24  35.879  18.436  13.077
  181    HB2  PRO  24           HB2      PRO  24  35.912  21.122  11.686
  182    HB3  PRO  24           HB3      PRO  24  36.761  19.610  11.232
  183    HG2  PRO  24           HG2      PRO  24  34.493  20.331   9.939
  184    HG3  PRO  24           HG3      PRO  24  34.728  18.625  10.434
  185    HD2  PRO  24           HD2      PRO  24  33.101  20.777  11.806
  186    HD3  PRO  24           HD3      PRO  24  32.683  19.073  11.469
  187    H    TYR  25           H        TYR  25  34.544  21.331  14.472
  188    HA   TYR  25           HA       TYR  25  36.999  22.014  15.960
  189    HB2  TYR  25           HB2      TYR  25  34.145  23.054  16.041
  190    HB3  TYR  25           HB3      TYR  25  35.517  23.774  16.868
  191    HD1  TYR  25           HD2      TYR  25  37.705  23.724  14.861
  192    HD2  TYR  25           HD1      TYR  25  33.499  24.584  14.319
  193    HE1  TYR  25           HE2      TYR  25  38.221  25.042  12.823
  194    HE2  TYR  25           HE1      TYR  25  34.039  25.862  12.249
  195    HH   TYR  25           HH       TYR  25  37.389  26.129  11.000
  196    H    CYS  26           H        CYS  26  34.028  20.332  16.602
  197    HA   CYS  26           HA       CYS  26  33.967  20.473  19.463
  198    HB2  CYS  26           HB2      CYS  26  32.066  19.900  18.233
  199    HB3  CYS  26           HB3      CYS  26  32.827  18.560  17.393
  200    HG   CYS  26           HG       CYS  26  32.371  18.575  20.690
  201    H    VAL  27           H        VAL  27  35.379  17.992  17.320
  202    HA   VAL  27           HA       VAL  27  36.613  16.291  19.149
  203    HB   VAL  27           HB       VAL  27  36.520  16.171  16.812
  204   HG11  VAL  27          HG11      VAL  27  37.750  16.937  15.158
  205   HG12  VAL  27          HG12      VAL  27  37.100  18.285  16.102
  206   HG13  VAL  27          HG13      VAL  27  38.838  17.810  16.249
  207   HG21  VAL  27          HG21      VAL  27  38.610  14.899  16.450
  208   HG22  VAL  27          HG22      VAL  27  39.405  15.837  17.734
  209   HG23  VAL  27          HG23      VAL  27  38.107  14.698  18.140
  210    H    ARG  28           H        ARG  28  37.980  18.821  17.565
  211    HA   ARG  28           HA       ARG  28  40.467  19.102  18.846
  212    HB2  ARG  28           HB2      ARG  28  38.970  21.580  17.848
  213    HB3  ARG  28           HB3      ARG  28  40.687  21.450  18.206
  214    HG2  ARG  28           HG2      ARG  28  40.575  19.527  16.362
  215    HG3  ARG  28           HG3      ARG  28  39.113  20.424  15.898
  216    HD2  ARG  28           HD2      ARG  28  40.940  21.254  14.566
  217    HD3  ARG  28           HD3      ARG  28  40.431  22.503  15.707
  218    HE   ARG  28           HE       ARG  28  42.788  20.688  16.157
  219   HH11  ARG  28          HH12      ARG  28  41.642  24.059  16.376
  220   HH12  ARG  28          HH11      ARG  28  42.953  24.383  17.524
  221   HH21  ARG  28          HH22      ARG  28  44.238  21.252  17.511
  222   HH22  ARG  28          HH21      ARG  28  44.259  22.868  18.215
  223    H    ALA  29           H        ALA  29  37.633  21.026  19.806
  224    HA   ALA  29           HA       ALA  29  38.966  22.204  22.077
  225    HB1  ALA  29           HB1      ALA  29  37.021  23.286  21.058
  226    HB2  ALA  29           HB2      ALA  29  35.989  21.909  21.516
  227    HB3  ALA  29           HB3      ALA  29  36.727  22.925  22.780
  228    H    GLU  30           H        GLU  30  36.587  19.444  21.929
  229    HA   GLU  30           HA       GLU  30  36.672  19.069  24.789
  230    HB2  GLU  30           HB2      GLU  30  35.756  17.209  22.565
  231    HB3  GLU  30           HB3      GLU  30  35.514  16.937  24.301
  232    HG2  GLU  30           HG2      GLU  30  34.212  19.012  24.503
  233    HG3  GLU  30           HG3      GLU  30  34.482  19.394  22.799
  234    H    LYS  31           H        LYS  31  38.665  17.753  22.238
  235    HA   LYS  31           HA       LYS  31  40.065  15.891  23.875
  236    HB2  LYS  31           HB2      LYS  31  40.163  15.888  21.413
  237    HB3  LYS  31           HB3      LYS  31  40.823  17.523  21.418
  238    HG2  LYS  31           HG2      LYS  31  42.919  16.542  22.543
  239    HG3  LYS  31           HG3      LYS  31  42.216  14.950  22.222
  240    HD2  LYS  31           HD2      LYS  31  43.666  15.418  20.363
  241    HD3  LYS  31           HD3      LYS  31  42.026  15.625  19.778
  242    HE2  LYS  31           HE2      LYS  31  43.215  17.460  18.881
  243    HE3  LYS  31           HE3      LYS  31  42.293  18.156  20.210
  244    HZ1  LYS  31           HZ1      LYS  31  45.153  17.378  20.395
  245    HZ2  LYS  31           HZ2      LYS  31  44.579  18.926  20.217
  246    HZ3  LYS  31           HZ3      LYS  31  44.284  18.088  21.578
  247    H    LEU  32           H        LEU  32  40.765  19.298  23.096
  248    HA   LEU  32           HA       LEU  32  43.135  19.639  24.635
  249    HB2  LEU  32           HB2      LEU  32  42.017  21.046  22.789
  250    HB3  LEU  32           HB3      LEU  32  41.011  21.689  24.081
  251    HG   LEU  32           HG       LEU  32  42.731  23.206  23.456
  252   HD11  LEU  32          HD11      LEU  32  43.589  22.171  26.161
  253   HD12  LEU  32          HD12      LEU  32  43.740  23.811  25.521
  254   HD13  LEU  32          HD13      LEU  32  42.130  23.154  25.876
  255   HD21  LEU  32          HD21      LEU  32  44.826  21.165  24.259
  256   HD22  LEU  32          HD22      LEU  32  44.382  21.578  22.596
  257   HD23  LEU  32          HD23      LEU  32  45.099  22.815  23.630
  258    H    LEU  33           H        LEU  33  39.694  20.194  25.506
  259    HA   LEU  33           HA       LEU  33  40.213  21.275  28.090
  260    HB2  LEU  33           HB2      LEU  33  37.776  19.782  26.985
  261    HB3  LEU  33           HB3      LEU  33  37.768  20.644  28.519
  262    HG   LEU  33           HG       LEU  33  38.273  21.959  25.824
  263   HD11  LEU  33          HD11      LEU  33  35.969  21.165  26.034
  264   HD12  LEU  33          HD12      LEU  33  35.792  22.246  27.446
  265   HD13  LEU  33          HD13      LEU  33  36.162  22.912  25.854
  266   HD21  LEU  33          HD21      LEU  33  39.333  23.253  27.614
  267   HD22  LEU  33          HD22      LEU  33  37.864  24.082  27.089
  268   HD23  LEU  33          HD23      LEU  33  37.840  23.141  28.586
  269    H    HIS  34           H        HIS  34  39.489  17.879  27.194
  270    HA   HIS  34           HA       HIS  34  40.007  16.865  29.854
  271    HB2  HIS  34           HB2      HIS  34  39.796  15.617  27.100
  272    HB3  HIS  34           HB3      HIS  34  40.260  14.679  28.517
  273    HD1  HIS  34           HD1      HIS  34  38.414  14.635  30.573
  274    HD2  HIS  34           HD2      HIS  34  37.140  16.027  26.820
  275    HE1  HIS  34           HE1      HIS  34  35.858  14.514  30.586
  276    H    ALA  35           H        ALA  35  42.177  17.567  27.058
  277    HA   ALA  35           HA       ALA  35  44.408  16.129  28.216
  278    HB1  ALA  35           HB1      ALA  35  44.339  18.274  26.064
  279    HB2  ALA  35           HB2      ALA  35  45.703  17.200  26.429
  280    HB3  ALA  35           HB3      ALA  35  44.194  16.519  25.809
  281    H    ARG  36           H        ARG  36  43.131  19.288  28.849
  282    HA   ARG  36           HA       ARG  36  45.574  20.107  30.395
  283    HB2  ARG  36           HB2      ARG  36  43.405  21.561  28.900
  284    HB3  ARG  36           HB3      ARG  36  44.141  22.343  30.275
  285    HG2  ARG  36           HG2      ARG  36  45.122  23.032  28.191
  286    HG3  ARG  36           HG3      ARG  36  46.275  22.429  29.385
  287    HD2  ARG  36           HD2      ARG  36  46.693  20.450  28.154
  288    HD3  ARG  36           HD3      ARG  36  45.277  20.701  27.105
  289    HE   ARG  36           HE       ARG  36  46.912  22.986  26.824
  290   HH11  ARG  36          HH22      ARG  36  47.515  19.610  26.009
  291   HH12  ARG  36          HH21      ARG  36  47.728  20.039  24.314
  292   HH21  ARG  36          HH12      ARG  36  47.621  23.440  24.965
  293   HH22  ARG  36          HH11      ARG  36  48.107  22.234  23.782
  294    H    THR  37           H        THR  37  42.920  18.502  31.184
  295    HA   THR  37           HA       THR  37  42.010  17.927  33.198
  296    HB   THR  37           HB       THR  37  43.345  20.096  34.736
  297    HG1  THR  37           HG1      THR  37  45.269  19.367  34.339
  298   HG21  THR  37          HG21      THR  37  43.729  18.241  36.398
  299   HG22  THR  37          HG22      THR  37  42.876  17.135  35.305
  300   HG23  THR  37          HG23      THR  37  42.020  18.490  36.043
  301    H    LYS  38           H        LYS  38  40.808  20.086  31.456
  302    HA   LYS  38           HA       LYS  38  39.599  21.979  33.422
  303    HB2  LYS  38           HB2      LYS  38  38.829  21.270  30.559
  304    HB3  LYS  38           HB3      LYS  38  37.947  22.337  31.604
  305    HG2  LYS  38           HG2      LYS  38  40.318  22.840  29.931
  306    HG3  LYS  38           HG3      LYS  38  39.042  23.914  30.432
  307    HD2  LYS  38           HD2      LYS  38  40.843  24.963  31.326
  308    HD3  LYS  38           HD3      LYS  38  40.346  24.028  32.726
  309    HE2  LYS  38           HE2      LYS  38  42.056  22.366  32.312
  310    HE3  LYS  38           HE3      LYS  38  42.316  22.943  30.676
  311    HZ1  LYS  38           HZ1      LYS  38  43.753  24.536  31.398
  312    HZ2  LYS  38           HZ2      LYS  38  42.960  24.863  32.788
  313    HZ3  LYS  38           HZ3      LYS  38  43.950  23.552  32.652
  314    H    ASP  39           H        ASP  39  38.452  20.982  34.969
  315    HA   ASP  39           HA       ASP  39  36.774  18.762  34.607
  316    HB2  ASP  39           HB2      ASP  39  37.311  19.693  36.829
  317    HB3  ASP  39           HB3      ASP  39  36.342  21.119  36.480
  318    H    ILE  40           H        ILE  40  35.593  18.594  32.947
  319    HA   ILE  40           HA       ILE  40  33.925  20.828  31.979
  320    HB   ILE  40           HB       ILE  40  35.996  20.289  30.784
  321   HG12  ILE  40          HG12      ILE  40  33.433  20.817  29.657
  322   HG13  ILE  40          HG13      ILE  40  35.027  21.378  29.217
  323   HG21  ILE  40          HG21      ILE  40  36.299  18.309  29.442
  324   HG22  ILE  40          HG22      ILE  40  36.050  17.841  31.112
  325   HG23  ILE  40          HG23      ILE  40  34.729  17.656  29.951
  326   HD11  ILE  40          HD11      ILE  40  33.765  18.822  28.150
  327   HD12  ILE  40          HD12      ILE  40  33.852  20.374  27.309
  328   HD13  ILE  40          HD13      ILE  40  35.347  19.510  27.672
  329    H    THR  41           H        THR  41  31.904  20.650  31.575
  330    HA   THR  41           HA       THR  41  30.531  17.991  31.292
  331    HB   THR  41           HB       THR  41  29.758  20.555  32.697
  332    HG1  THR  41           HG1      THR  41  30.704  18.826  33.832
  333   HG21  THR  41          HG21      THR  41  27.459  19.625  32.954
  334   HG22  THR  41          HG22      THR  41  27.827  18.425  31.695
  335   HG23  THR  41          HG23      THR  41  27.802  20.160  31.306
  336    H    VAL  42           H        VAL  42  29.786  17.663  29.242
  337    HA   VAL  42           HA       VAL  42  29.121  20.066  27.640
  338    HB   VAL  42           HB       VAL  42  31.048  19.485  26.743
  339   HG11  VAL  42          HG11      VAL  42  31.890  17.451  25.993
  340   HG12  VAL  42          HG12      VAL  42  31.649  17.523  27.727
  341   HG13  VAL  42          HG13      VAL  42  30.494  16.578  26.718
  342   HG21  VAL  42          HG21      VAL  42  29.111  18.023  24.928
  343   HG22  VAL  42          HG22      VAL  42  29.329  19.789  24.984
  344   HG23  VAL  42          HG23      VAL  42  30.654  18.756  24.465
  345    H    HIS  43           H        HIS  43  27.518  20.219  26.377
  346    HA   HIS  43           HA       HIS  43  25.400  18.131  26.469
  347    HB2  HIS  43           HB2      HIS  43  25.039  20.320  27.674
  348    HB3  HIS  43           HB3      HIS  43  25.123  21.137  26.136
  349    HD1  HIS  43           HD1      HIS  43  22.665  19.560  28.397
  350    HD2  HIS  43           HD2      HIS  43  23.187  19.868  24.235
  351    HE1  HIS  43           HE1      HIS  43  20.496  18.834  27.352
  352    H    TYR  44           H        TYR  44  24.826  17.208  24.601
  353    HA   TYR  44           HA       TYR  44  25.824  18.339  22.043
  354    HB2  TYR  44           HB2      TYR  44  24.826  15.586  22.774
  355    HB3  TYR  44           HB3      TYR  44  25.438  16.056  21.191
  356    HD1  TYR  44           HD2      TYR  44  27.855  17.424  21.419
  357    HD2  TYR  44           HD1      TYR  44  26.334  14.371  24.069
  358    HE1  TYR  44           HE2      TYR  44  30.159  16.994  22.229
  359    HE2  TYR  44           HE1      TYR  44  28.636  13.938  24.880
  360    HH   TYR  44           HH       TYR  44  31.479  15.810  23.749
  361    H    VAL  45           H        VAL  45  24.476  19.695  21.079
  362    HA   VAL  45           HA       VAL  45  21.673  19.669  21.915
  363    HB   VAL  45           HB       VAL  45  21.524  21.911  20.882
  364   HG11  VAL  45          HG11      VAL  45  23.791  21.592  22.876
  365   HG12  VAL  45          HG12      VAL  45  22.830  23.053  22.570
  366   HG13  VAL  45          HG13      VAL  45  22.043  21.632  23.256
  367   HG21  VAL  45          HG21      VAL  45  23.608  23.096  20.291
  368   HG22  VAL  45          HG22      VAL  45  24.536  21.603  20.448
  369   HG23  VAL  45          HG23      VAL  45  23.295  21.758  19.186
  370    H    ASP  46           H        ASP  46  22.970  18.201  19.172
  371    HA   ASP  46           HA       ASP  46  20.373  18.562  17.733
  372    HB2  ASP  46           HB2      ASP  46  22.690  18.663  16.569
  373    HB3  ASP  46           HB3      ASP  46  22.682  16.914  16.728
  374    H    LYS  47           H        LYS  47  21.575  16.651  20.181
  375    HA   LYS  47           HA       LYS  47  20.288  14.086  19.492
  376    HB2  LYS  47           HB2      LYS  47  21.346  15.080  22.164
  377    HB3  LYS  47           HB3      LYS  47  21.016  13.413  21.734
  378    HG2  LYS  47           HG2      LYS  47  23.174  15.139  20.455
  379    HG3  LYS  47           HG3      LYS  47  23.397  14.093  21.830
  380    HD2  LYS  47           HD2      LYS  47  22.500  13.094  19.092
  381    HD3  LYS  47           HD3      LYS  47  24.186  13.164  19.616
  382    HE2  LYS  47           HE2      LYS  47  23.688  11.648  21.518
  383    HE3  LYS  47           HE3      LYS  47  21.996  11.564  20.994
  384    HZ1  LYS  47           HZ1      LYS  47  22.907  10.717  18.816
  385    HZ2  LYS  47           HZ2      LYS  47  24.358  10.520  19.530
  386    HZ3  LYS  47           HZ3      LYS  47  23.049   9.681  20.072
  387    H    MET  48           H        MET  48  19.302  16.998  21.034
  388    HA   MET  48           HA       MET  48  16.598  15.883  21.380
  389    HB2  MET  48           HB2      MET  48  16.294  16.371  23.626
  390    HB3  MET  48           HB3      MET  48  17.899  15.664  23.580
  391    HG2  MET  48           HG2      MET  48  18.839  18.034  23.548
  392    HG3  MET  48           HG3      MET  48  17.185  18.609  23.805
  393    HE1  MET  48           HE1      MET  48  18.715  19.884  25.548
  394    HE2  MET  48           HE2      MET  48  17.103  19.708  26.288
  395    HE3  MET  48           HE3      MET  48  18.530  19.411  27.252
  396    H    SER  49           H        SER  49  14.871  17.312  21.439
  397    HA   SER  49           HA       SER  49  15.054  19.403  19.531
  398    HB2  SER  49           HB2      SER  49  12.857  18.649  21.469
  399    HB3  SER  49           HB3      SER  49  12.649  19.667  20.021
  400    HG   SER  49           HG       SER  49  12.408  17.119  20.035
  401    H    GLU  50           H        GLU  50  14.852  19.598  23.068
  402    HA   GLU  50           HA       GLU  50  14.660  22.438  23.293
  403    HB2  GLU  50           HB2      GLU  50  15.540  20.134  24.974
  404    HB3  GLU  50           HB3      GLU  50  16.119  21.736  25.485
  405    HG2  GLU  50           HG2      GLU  50  13.765  22.524  25.584
  406    HG3  GLU  50           HG3      GLU  50  13.208  20.914  25.102
  407    H    GLY  51           H        GLY  51  17.428  20.506  22.204
  408    HA2  GLY  51           HA2      GLY  51  19.598  22.166  22.908
  409    HA3  GLY  51           HA3      GLY  51  19.451  21.143  21.484
  410    H    GLU  52           H        GLU  52  17.094  22.633  20.455
  411    HA   GLU  52           HA       GLU  52  18.438  24.794  19.017
  412    HB2  GLU  52           HB2      GLU  52  15.512  23.949  19.177
  413    HB3  GLU  52           HB3      GLU  52  16.191  25.114  18.031
  414    HG2  GLU  52           HG2      GLU  52  17.572  23.405  16.996
  415    HG3  GLU  52           HG3      GLU  52  17.123  22.210  18.213
  416    H    GLN  53           H        GLN  53  16.277  24.581  21.823
  417    HA   GLN  53           HA       GLN  53  15.844  27.466  22.075
  418    HB2  GLN  53           HB2      GLN  53  15.357  25.167  24.028
  419    HB3  GLN  53           HB3      GLN  53  14.864  26.835  24.253
  420    HG2  GLN  53           HG2      GLN  53  13.521  26.659  22.100
  421    HG3  GLN  53           HG3      GLN  53  13.909  24.934  22.055
  422   HE21  GLN  53          HE21      GLN  53  12.482  27.434  24.177
  423   HE22  GLN  53          HE22      GLN  53  11.305  26.342  24.935
  424    H    LEU  54           H        LEU  54  18.037  25.024  23.482
  425    HA   LEU  54           HA       LEU  54  19.500  26.828  25.194
  426    HB2  LEU  54           HB2      LEU  54  20.351  24.236  23.858
  427    HB3  LEU  54           HB3      LEU  54  21.310  25.086  25.014
  428    HG   LEU  54           HG       LEU  54  20.400  24.103  26.731
  429   HD11  LEU  54          HD11      LEU  54  18.127  23.977  27.414
  430   HD12  LEU  54          HD12      LEU  54  18.393  25.591  26.761
  431   HD13  LEU  54          HD13      LEU  54  17.540  24.370  25.787
  432   HD21  LEU  54          HD21      LEU  54  18.787  22.362  24.947
  433   HD22  LEU  54          HD22      LEU  54  20.541  22.206  25.240
  434   HD23  LEU  54          HD23      LEU  54  19.392  22.037  26.574
  435    H    ARG  55           H        ARG  55  20.064  25.831  21.759
  436    HA   ARG  55           HA       ARG  55  22.307  27.551  21.272
  437    HB2  ARG  55           HB2      ARG  55  20.106  26.447  19.491
  438    HB3  ARG  55           HB3      ARG  55  21.364  27.513  18.857
  439    HG2  ARG  55           HG2      ARG  55  23.105  25.992  19.344
  440    HG3  ARG  55           HG3      ARG  55  22.108  25.028  20.423
  441    HD2  ARG  55           HD2      ARG  55  22.505  23.864  18.299
  442    HD3  ARG  55           HD3      ARG  55  20.799  24.175  18.577
  443    HE   ARG  55           HE       ARG  55  20.732  25.708  16.811
  444   HH11  ARG  55          HH22      ARG  55  24.104  24.515  16.980
  445   HH12  ARG  55          HH21      ARG  55  24.254  24.799  15.258
  446   HH21  ARG  55          HH12      ARG  55  21.222  26.133  14.706
  447   HH22  ARG  55          HH11      ARG  55  22.822  25.722  14.122
  448    H    GLY  56           H        GLY  56  18.814  28.322  21.128
  449    HA2  GLY  56           HA2      GLY  56  19.060  31.071  20.407
  450    HA3  GLY  56           HA3      GLY  56  17.753  30.358  21.359
  451    H    GLU  57           H        GLU  57  19.396  29.549  23.666
  452    HA   GLU  57           HA       GLU  57  19.618  32.075  25.105
  453    HB2  GLU  57           HB2      GLU  57  20.509  29.282  25.796
  454    HB3  GLU  57           HB3      GLU  57  20.717  30.679  26.841
  455    HG2  GLU  57           HG2      GLU  57  18.076  29.468  25.931
  456    HG3  GLU  57           HG3      GLU  57  18.819  29.426  27.511
  457    H    ILE  58           H        ILE  58  22.045  29.989  23.457
  458    HA   ILE  58           HA       ILE  58  24.304  31.647  24.251
  459    HB   ILE  58           HB       ILE  58  24.078  29.882  21.786
  460   HG12  ILE  58          HG12      ILE  58  25.194  29.056  24.509
  461   HG13  ILE  58          HG13      ILE  58  23.577  28.639  23.970
  462   HG21  ILE  58          HG21      ILE  58  26.031  31.504  21.890
  463   HG22  ILE  58          HG22      ILE  58  26.552  30.708  23.386
  464   HG23  ILE  58          HG23      ILE  58  26.508  29.817  21.847
  465   HD11  ILE  58          HD11      ILE  58  24.513  27.448  21.999
  466   HD12  ILE  58          HD12      ILE  58  26.141  27.724  22.650
  467   HD13  ILE  58          HD13      ILE  58  24.972  26.758  23.564
  468    H    TYR  59           H        TYR  59  22.169  31.569  21.364
  469    HA   TYR  59           HA       TYR  59  23.525  33.553  19.941
  470    HB2  TYR  59           HB2      TYR  59  21.598  31.863  19.282
  471    HB3  TYR  59           HB3      TYR  59  20.547  33.237  19.594
  472    HD1  TYR  59           HD2      TYR  59  20.852  35.361  18.179
  473    HD2  TYR  59           HD1      TYR  59  23.096  31.748  17.495
  474    HE1  TYR  59           HE2      TYR  59  21.513  36.188  15.911
  475    HE2  TYR  59           HE1      TYR  59  23.810  32.574  15.277
  476    HH   TYR  59           HH       TYR  59  22.674  35.730  13.951
  477    H    GLN  60           H        GLN  60  20.753  34.007  22.163
  478    HA   GLN  60           HA       GLN  60  20.261  36.714  21.579
  479    HB2  GLN  60           HB2      GLN  60  19.936  34.965  24.041
  480    HB3  GLN  60           HB3      GLN  60  19.463  36.665  24.114
  481    HG2  GLN  60           HG2      GLN  60  17.772  36.374  22.454
  482    HG3  GLN  60           HG3      GLN  60  18.362  34.768  22.010
  483   HE21  GLN  60          HE21      GLN  60  18.205  33.065  23.663
  484   HE22  GLN  60          HE22      GLN  60  16.982  33.163  24.942
  485    H    ALA  61           H        ALA  61  22.620  35.368  23.926
  486    HA   ALA  61           HA       ALA  61  23.523  38.034  24.749
  487    HB1  ALA  61           HB1      ALA  61  23.385  36.234  26.368
  488    HB2  ALA  61           HB2      ALA  61  24.491  35.231  25.410
  489    HB3  ALA  61           HB3      ALA  61  25.074  36.730  26.173
  490    H    TYR  62           H        TYR  62  24.893  35.410  22.686
  491    HA   TYR  62           HA       TYR  62  27.323  37.102  22.273
  492    HB2  TYR  62           HB2      TYR  62  27.084  34.098  22.032
  493    HB3  TYR  62           HB3      TYR  62  28.555  35.067  22.099
  494    HD1  TYR  62           HD1      TYR  62  28.712  36.667  24.278
  495    HD2  TYR  62           HD2      TYR  62  26.386  33.050  24.011
  496    HE1  TYR  62           HE1      TYR  62  28.533  36.598  26.753
  497    HE2  TYR  62           HE2      TYR  62  26.189  32.992  26.493
  498    HH   TYR  62           HH       TYR  62  27.528  35.628  28.501
  499    H    LYS  63           H        LYS  63  24.644  36.121  20.516
  500    HA   LYS  63           HA       LYS  63  24.102  35.765  18.392
  501    HB2  LYS  63           HB2      LYS  63  26.320  37.725  17.716
  502    HB3  LYS  63           HB3      LYS  63  24.899  37.373  16.733
  503    HG2  LYS  63           HG2      LYS  63  24.825  38.612  19.518
  504    HG3  LYS  63           HG3      LYS  63  24.788  39.525  18.025
  505    HD2  LYS  63           HD2      LYS  63  22.607  38.958  17.519
  506    HD3  LYS  63           HD3      LYS  63  22.674  37.407  18.339
  507    HE2  LYS  63           HE2      LYS  63  21.185  39.010  19.477
  508    HE3  LYS  63           HE3      LYS  63  22.480  38.404  20.516
  509    HZ1  LYS  63           HZ1      LYS  63  22.655  41.002  19.099
  510    HZ2  LYS  63           HZ2      LYS  63  22.103  40.851  20.654
  511    HZ3  LYS  63           HZ3      LYS  63  23.633  40.435  20.314
  512    H    HIS  64           H        HIS  64  25.699  33.822  19.390
  513    HA   HIS  64           HA       HIS  64  26.637  32.522  16.897
  514    HB2  HIS  64           HB2      HIS  64  28.011  32.397  19.620
  515    HB3  HIS  64           HB3      HIS  64  28.303  31.260  18.308
  516    HD1  HIS  64           HD1      HIS  64  29.497  32.302  16.049
  517    HD2  HIS  64           HD2      HIS  64  29.410  34.643  19.552
  518    HE1  HIS  64           HE1      HIS  64  31.307  34.095  15.779
  519    H    GLU  65           H        GLU  65  26.140  30.280  16.866
  520    HA   GLU  65           HA       GLU  65  24.199  29.343  18.956
  521    HB2  GLU  65           HB2      GLU  65  23.453  27.858  16.917
  522    HB3  GLU  65           HB3      GLU  65  22.831  29.478  17.186
  523    HG2  GLU  65           HG2      GLU  65  23.250  29.028  14.844
  524    HG3  GLU  65           HG3      GLU  65  24.099  30.434  15.444
  525    H    THR  66           H        THR  66  26.815  28.268  16.753
  526    HA   THR  66           HA       THR  66  27.853  26.517  18.885
  527    HB   THR  66           HB       THR  66  26.958  25.284  16.265
  528    HG1  THR  66           HG1      THR  66  25.711  25.663  18.560
  529   HG21  THR  66          HG21      THR  66  27.599  23.125  17.319
  530   HG22  THR  66          HG22      THR  66  28.315  24.007  18.683
  531   HG23  THR  66          HG23      THR  66  29.003  24.157  17.039
  532    H    VAL  67           H        VAL  67  29.990  26.133  18.644
  533    HA   VAL  67           HA       VAL  67  31.455  26.916  16.233
  534    HB   VAL  67           HB       VAL  67  32.794  28.216  18.457
  535   HG11  VAL  67          HG11      VAL  67  32.848  30.086  16.895
  536   HG12  VAL  67          HG12      VAL  67  33.237  28.572  16.070
  537   HG13  VAL  67          HG13      VAL  67  31.628  29.296  15.871
  538   HG21  VAL  67          HG21      VAL  67  31.378  30.143  18.810
  539   HG22  VAL  67          HG22      VAL  67  30.076  29.432  17.845
  540   HG23  VAL  67          HG23      VAL  67  30.553  28.700  19.404
  541    HA   PRO  68           HA       PRO  68  30.448  24.806  19.441
  542    HB2  PRO  68           HB2      PRO  68  31.527  23.701  21.651
  543    HB3  PRO  68           HB3      PRO  68  31.335  22.792  20.123
  544    HG2  PRO  68           HG2      PRO  68  33.818  24.231  21.125
  545    HG3  PRO  68           HG3      PRO  68  33.676  22.526  20.579
  546    HD2  PRO  68           HD2      PRO  68  34.501  24.465  18.889
  547    HD3  PRO  68           HD3      PRO  68  33.400  23.177  18.320
  548    H    ALA  69           H        ALA  69  29.826  25.536  21.687
  549    HA   ALA  69           HA       ALA  69  31.069  28.184  22.330
  550    HB1  ALA  69           HB1      ALA  69  28.368  27.000  23.070
  551    HB2  ALA  69           HB2      ALA  69  28.958  28.597  23.556
  552    HB3  ALA  69           HB3      ALA  69  28.665  28.250  21.838
  553    H    ILE  70           H        ILE  70  32.076  28.514  24.284
  554    HA   ILE  70           HA       ILE  70  32.163  26.263  26.245
  555    HB   ILE  70           HB       ILE  70  34.507  27.983  25.356
  556   HG12  ILE  70          HG12      ILE  70  35.225  25.412  24.646
  557   HG13  ILE  70          HG13      ILE  70  33.524  25.401  24.233
  558   HG21  ILE  70          HG21      ILE  70  34.765  27.247  27.653
  559   HG22  ILE  70          HG22      ILE  70  34.389  25.571  27.207
  560   HG23  ILE  70          HG23      ILE  70  35.877  26.350  26.632
  561   HD11  ILE  70          HD11      ILE  70  35.624  27.406  23.265
  562   HD12  ILE  70          HD12      ILE  70  34.888  26.107  22.310
  563   HD13  ILE  70          HD13      ILE  70  33.904  27.483  22.844
  564    H    PHE  71           H        PHE  71  32.040  26.813  28.351
  565    HA   PHE  71           HA       PHE  71  32.234  29.695  29.119
  566    HB2  PHE  71           HB2      PHE  71  30.195  27.644  30.036
  567    HB3  PHE  71           HB3      PHE  71  30.391  29.269  30.693
  568    HD1  PHE  71           HD2      PHE  71  29.471  27.373  27.594
  569    HD2  PHE  71           HD1      PHE  71  29.289  31.138  29.693
  570    HE1  PHE  71           HE2      PHE  71  27.883  28.254  25.896
  571    HE2  PHE  71           HE1      PHE  71  27.652  31.976  28.040
  572    HZ   PHE  71           HZ       PHE  71  26.944  30.518  26.128
  573    H    ILE  72           H        ILE  72  33.451  30.078  30.929
  574    HA   ILE  72           HA       ILE  72  34.206  27.794  32.701
  575    HB   ILE  72           HB       ILE  72  36.159  29.904  31.692
  576   HG12  ILE  72          HG12      ILE  72  35.783  27.005  30.841
  577   HG13  ILE  72          HG13      ILE  72  35.635  28.438  29.837
  578   HG21  ILE  72          HG21      ILE  72  36.442  27.448  33.507
  579   HG22  ILE  72          HG22      ILE  72  37.819  28.365  32.878
  580   HG23  ILE  72          HG23      ILE  72  36.673  29.138  33.956
  581   HD11  ILE  72          HD11      ILE  72  38.096  28.867  30.179
  582   HD12  ILE  72          HD12      ILE  72  38.192  27.265  30.961
  583   HD13  ILE  72          HD13      ILE  72  37.688  27.397  29.271
  584    H    ASN  73           H        ASN  73  33.795  28.270  34.793
  585    HA   ASN  73           HA       ASN  73  32.966  29.411  36.563
  586    HB2  ASN  73           HB2      ASN  73  35.221  31.328  35.823
  587    HB3  ASN  73           HB3      ASN  73  34.347  31.369  37.349
  588   HD21  ASN  73          HD21      ASN  73  37.183  30.947  37.256
  589   HD22  ASN  73          HD22      ASN  73  37.414  29.313  37.849
  590    H    GLY  74           H        GLY  74  31.380  29.801  34.313
  591    HA2  GLY  74           HA2      GLY  74  29.482  31.091  33.778
  592    HA3  GLY  74           HA3      GLY  74  29.989  32.311  34.906
  593    H    ASN  75           H        ASN  75  32.686  31.991  33.003
  594    HA   ASN  75           HA       ASN  75  31.943  34.335  31.374
  595    HB2  ASN  75           HB2      ASN  75  34.596  33.162  32.236
  596    HB3  ASN  75           HB3      ASN  75  34.449  34.506  31.141
  597   HD21  ASN  75          HD21      ASN  75  35.833  34.893  33.521
  598   HD22  ASN  75          HD22      ASN  75  34.843  35.909  34.566
  599    H    PHE  76           H        PHE  76  31.579  34.251  29.256
  600    HA   PHE  76           HA       PHE  76  31.730  31.776  27.784
  601    HB2  PHE  76           HB2      PHE  76  29.869  33.223  27.452
  602    HB3  PHE  76           HB3      PHE  76  30.897  34.602  27.102
  603    HD1  PHE  76           HD2      PHE  76  30.071  31.171  25.773
  604    HD2  PHE  76           HD1      PHE  76  31.397  35.173  24.872
  605    HE1  PHE  76           HE2      PHE  76  29.976  30.666  23.345
  606    HE2  PHE  76           HE1      PHE  76  31.304  34.661  22.447
  607    HZ   PHE  76           HZ       PHE  76  30.582  32.409  21.677
  608    H    ILE  77           H        ILE  77  32.960  31.092  26.190
  609    HA   ILE  77           HA       ILE  77  34.935  32.805  24.791
  610    HB   ILE  77           HB       ILE  77  35.411  29.961  25.759
  611   HG12  ILE  77          HG12      ILE  77  37.137  32.308  26.585
  612   HG13  ILE  77          HG13      ILE  77  35.701  31.899  27.511
  613   HG21  ILE  77          HG21      ILE  77  36.459  30.303  23.566
  614   HG22  ILE  77          HG22      ILE  77  37.205  31.817  24.126
  615   HG23  ILE  77          HG23      ILE  77  37.713  30.259  24.792
  616   HD11  ILE  77          HD11      ILE  77  37.951  29.929  26.995
  617   HD12  ILE  77          HD12      ILE  77  37.659  30.839  28.491
  618   HD13  ILE  77          HD13      ILE  77  36.476  29.642  27.929
  619    H    GLY  78           H        GLY  78  34.732  32.537  22.541
  620    HA2  GLY  78           HA2      GLY  78  33.335  30.042  21.564
  621    HA3  GLY  78           HA3      GLY  78  32.924  31.622  20.930
  622    H    GLY  79           H        GLY  79  34.643  28.928  20.422
  623    HA2  GLY  79           HA2      GLY  79  35.424  28.671  18.050
  624    HA3  GLY  79           HA3      GLY  79  36.458  30.070  18.345
  625    H    CYS  80           H        CYS  80  36.950  26.969  17.882
  626    HA   CYS  80           HA       CYS  80  38.227  26.092  20.340
  627    HB2  CYS  80           HB2      CYS  80  37.460  24.512  18.569
  628    HB3  CYS  80           HB3      CYS  80  38.765  25.104  17.511
  629    HG   CYS  80           HG       CYS  80  40.685  24.709  19.392
  630    H    SER  81           H        SER  81  39.530  27.649  17.384
  631    HA   SER  81           HA       SER  81  42.242  27.890  18.210
  632    HB2  SER  81           HB2      SER  81  42.212  29.820  16.582
  633    HB3  SER  81           HB3      SER  81  41.601  28.282  15.944
  634    HG   SER  81           HG       SER  81  40.344  30.185  15.447
  635    H    ASP  82           H        ASP  82  39.409  29.856  18.956
  636    HA   ASP  82           HA       ASP  82  40.725  32.022  20.282
  637    HB2  ASP  82           HB2      ASP  82  38.253  31.574  19.315
  638    HB3  ASP  82           HB3      ASP  82  37.899  31.162  20.972
  639    H    LEU  83           H        LEU  83  39.338  29.001  21.419
  640    HA   LEU  83           HA       LEU  83  39.879  29.307  24.241
  641    HB2  LEU  83           HB2      LEU  83  38.170  27.788  23.419
  642    HB3  LEU  83           HB3      LEU  83  39.333  26.935  22.421
  643    HG   LEU  83           HG       LEU  83  40.496  26.105  24.459
  644   HD11  LEU  83          HD11      LEU  83  39.299  26.221  26.632
  645   HD12  LEU  83          HD12      LEU  83  39.826  27.820  26.095
  646   HD13  LEU  83          HD13      LEU  83  38.120  27.349  25.919
  647   HD21  LEU  83          HD21      LEU  83  38.786  24.786  23.260
  648   HD22  LEU  83          HD22      LEU  83  38.832  24.424  24.986
  649   HD23  LEU  83          HD23      LEU  83  37.533  25.453  24.330
  650    H    GLU  84           H        GLU  84  41.698  27.534  21.649
  651    HA   GLU  84           HA       GLU  84  43.849  26.723  23.373
  652    HB2  GLU  84           HB2      GLU  84  43.779  27.185  20.366
  653    HB3  GLU  84           HB3      GLU  84  45.161  26.501  21.247
  654    HG2  GLU  84           HG2      GLU  84  43.787  24.663  22.080
  655    HG3  GLU  84           HG3      GLU  84  42.392  25.246  21.167
  656    H    ALA  85           H        ALA  85  43.270  29.777  21.670
  657    HA   ALA  85           HA       ALA  85  45.848  30.925  21.954
  658    HB1  ALA  85           HB1      ALA  85  44.069  31.877  20.560
  659    HB2  ALA  85           HB2      ALA  85  43.086  32.211  21.982
  660    HB3  ALA  85           HB3      ALA  85  44.618  33.075  21.748
  661    H    LEU  86           H        LEU  86  43.158  30.721  24.318
  662    HA   LEU  86           HA       LEU  86  44.466  32.246  26.403
  663    HB2  LEU  86           HB2      LEU  86  42.257  30.158  26.561
  664    HB3  LEU  86           HB3      LEU  86  42.742  31.231  27.863
  665    HG   LEU  86           HG       LEU  86  41.552  32.125  25.209
  666   HD11  LEU  86          HD11      LEU  86  39.571  32.673  26.536
  667   HD12  LEU  86          HD12      LEU  86  39.956  30.947  26.633
  668   HD13  LEU  86          HD13      LEU  86  40.343  32.024  27.999
  669   HD21  LEU  86          HD21      LEU  86  41.335  34.323  26.282
  670   HD22  LEU  86          HD22      LEU  86  42.177  33.730  27.730
  671   HD23  LEU  86          HD23      LEU  86  43.029  33.866  26.161
  672    H    ASP  87           H        ASP  87  44.522  28.834  25.469
  673    HA   ASP  87           HA       ASP  87  45.879  27.879  27.824
  674    HB2  ASP  87           HB2      ASP  87  44.647  26.462  26.134
  675    HB3  ASP  87           HB3      ASP  87  46.022  26.671  25.048
  676    H    LYS  88           H        LYS  88  47.099  28.955  24.646
  677    HA   LYS  88           HA       LYS  88  49.930  28.842  25.309
  678    HB2  LYS  88           HB2      LYS  88  48.265  30.183  23.153
  679    HB3  LYS  88           HB3      LYS  88  49.958  30.607  23.352
  680    HG2  LYS  88           HG2      LYS  88  49.741  28.963  21.624
  681    HG3  LYS  88           HG3      LYS  88  50.674  28.317  22.969
  682    HD2  LYS  88           HD2      LYS  88  48.799  26.911  23.679
  683    HD3  LYS  88           HD3      LYS  88  47.728  27.738  22.544
  684    HE2  LYS  88           HE2      LYS  88  48.258  25.642  21.560
  685    HE3  LYS  88           HE3      LYS  88  49.053  26.909  20.624
  686    HZ1  LYS  88           HZ1      LYS  88  50.479  25.016  21.013
  687    HZ2  LYS  88           HZ2      LYS  88  51.144  26.324  21.777
  688    HZ3  LYS  88           HZ3      LYS  88  50.353  25.176  22.647
  689    H    GLU  89           H        GLU  89  47.486  31.367  25.769
  690    HA   GLU  89           HA       GLU  89  49.438  33.331  26.727
  691    HB2  GLU  89           HB2      GLU  89  46.416  33.315  26.517
  692    HB3  GLU  89           HB3      GLU  89  47.324  34.668  27.192
  693    HG2  GLU  89           HG2      GLU  89  48.459  35.125  25.166
  694    HG3  GLU  89           HG3      GLU  89  47.988  33.600  24.437
  695    H    GLY  90           H        GLY  90  48.446  30.612  28.290
  696    HA2  GLY  90           HA2      GLY  90  48.916  29.990  30.471
  697    HA3  GLY  90           HA3      GLY  90  49.411  31.644  30.818
  698    H    LYS  91           H        LYS  91  46.231  31.565  29.581
  699    HA   LYS  91           HA       LYS  91  45.170  32.466  32.206
  700    HB2  LYS  91           HB2      LYS  91  44.469  32.802  29.272
  701    HB3  LYS  91           HB3      LYS  91  43.217  33.017  30.480
  702    HG2  LYS  91           HG2      LYS  91  44.532  34.718  31.644
  703    HG3  LYS  91           HG3      LYS  91  45.855  34.539  30.489
  704    HD2  LYS  91           HD2      LYS  91  43.028  35.410  29.702
  705    HD3  LYS  91           HD3      LYS  91  44.307  36.537  30.159
  706    HE2  LYS  91           HE2      LYS  91  45.763  35.586  28.352
  707    HE3  LYS  91           HE3      LYS  91  44.400  34.598  27.813
  708    HZ1  LYS  91           HZ1      LYS  91  44.568  37.561  27.816
  709    HZ2  LYS  91           HZ2      LYS  91  44.513  36.570  26.509
  710    HZ3  LYS  91           HZ3      LYS  91  43.185  36.781  27.470
  711    H    LEU  92           H        LEU  92  45.058  29.620  30.289
  712    HA   LEU  92           HA       LEU  92  42.435  28.747  31.405
  713    HB2  LEU  92           HB2      LEU  92  43.177  28.598  28.903
  714    HB3  LEU  92           HB3      LEU  92  44.353  27.410  29.426
  715    HG   LEU  92           HG       LEU  92  42.497  25.948  30.227
  716   HD11  LEU  92          HD11      LEU  92  40.721  27.611  30.600
  717   HD12  LEU  92          HD12      LEU  92  40.736  28.042  28.876
  718   HD13  LEU  92          HD13      LEU  92  40.189  26.436  29.390
  719   HD21  LEU  92          HD21      LEU  92  43.458  25.600  28.015
  720   HD22  LEU  92          HD22      LEU  92  41.723  25.267  27.980
  721   HD23  LEU  92          HD23      LEU  92  42.343  26.793  27.309
  722    H    ASP  93           H        ASP  93  45.844  28.071  31.721
  723    HA   ASP  93           HA       ASP  93  45.501  26.030  33.794
  724    HB2  ASP  93           HB2      ASP  93  47.753  27.898  32.969
  725    HB3  ASP  93           HB3      ASP  93  47.839  26.831  34.361
  726    H    GLY  94           H        GLY  94  45.852  29.589  33.731
  727    HA2  GLY  94           HA2      GLY  94  45.776  30.046  36.524
  728    HA3  GLY  94           HA3      GLY  94  45.272  31.191  35.266
  729    H    LEU  95           H        LEU  95  43.067  29.649  34.221
  730    HA   LEU  95           HA       LEU  95  41.020  30.340  36.118
  731    HB2  LEU  95           HB2      LEU  95  41.098  28.916  33.456
  732    HB3  LEU  95           HB3      LEU  95  39.611  28.911  34.401
  733    HG   LEU  95           HG       LEU  95  41.059  31.514  33.779
  734   HD11  LEU  95          HD11      LEU  95  39.558  31.845  31.885
  735   HD12  LEU  95          HD12      LEU  95  40.535  30.393  31.628
  736   HD13  LEU  95          HD13      LEU  95  38.835  30.249  32.129
  737   HD21  LEU  95          HD21      LEU  95  39.337  31.616  35.553
  738   HD22  LEU  95          HD22      LEU  95  38.844  32.512  34.117
  739   HD23  LEU  95          HD23      LEU  95  38.146  30.913  34.443
  740    H    LEU  96           H        LEU  96  42.728  27.311  35.585
  741    HA   LEU  96           HA       LEU  96  41.080  25.940  37.658
  742    HB2  LEU  96           HB2      LEU  96  43.581  25.014  36.193
  743    HB3  LEU  96           HB3      LEU  96  42.649  24.002  37.286
  744    HG   LEU  96           HG       LEU  96  41.805  25.058  34.602
  745   HD11  LEU  96          HD11      LEU  96  41.549  22.593  34.238
  746   HD12  LEU  96          HD12      LEU  96  43.197  22.982  34.770
  747   HD13  LEU  96          HD13      LEU  96  42.028  22.291  35.898
  748   HD21  LEU  96          HD21      LEU  96  39.629  23.836  34.971
  749   HD22  LEU  96          HD22      LEU  96  40.056  23.680  36.683
  750   HD23  LEU  96          HD23      LEU  96  39.788  25.284  35.965
  751    H    SER  97           H        SER  97  42.999  28.342  38.253
  752    HA   SER  97           HA       SER  97  44.649  27.045  40.380
  753    HB2  SER  97           HB2      SER  97  46.093  28.858  40.436
  754    HB3  SER  97           HB3      SER  97  45.822  28.456  38.735
  755    HG   SER  97           HG       SER  97  44.269  30.168  38.677
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  18.065  36.317  34.416
    2    H2   GLY   1           H2       GLY   1  17.384  34.823  34.467
    3    H3   GLY   1           H3       GLY   1  17.479  35.728  35.840
    4    HA2  GLY   1           HA2      GLY   1  16.011  37.392  34.847
    5    HA3  GLY   1           HA3      GLY   1  15.843  36.297  33.459
    6    H    ALA   2           H        ALA   2  13.557  36.798  34.300
    7    HA   ALA   2           HA       ALA   2  12.462  35.663  36.635
    8    HB1  ALA   2           HB1      ALA   2  11.224  36.249  33.906
    9    HB2  ALA   2           HB2      ALA   2  10.323  36.000  35.410
   10    HB3  ALA   2           HB3      ALA   2  11.404  37.400  35.249
   11    H    MET   3           H        MET   3  13.198  34.036  33.574
   12    HA   MET   3           HA       MET   3  12.122  31.500  34.734
   13    HB2  MET   3           HB2      MET   3  12.245  32.175  31.771
   14    HB3  MET   3           HB3      MET   3  11.723  30.656  32.499
   15    HG2  MET   3           HG2      MET   3   9.699  31.639  32.080
   16    HG3  MET   3           HG3      MET   3   9.956  32.120  33.756
   17    HE1  MET   3           HE1      MET   3   8.160  33.999  33.674
   18    HE2  MET   3           HE2      MET   3   8.024  35.201  32.371
   19    HE3  MET   3           HE3      MET   3   7.747  33.481  32.023
   20    HA   PRO   4           HA       PRO   4  16.381  30.464  34.534
   21    HB2  PRO   4           HB2      PRO   4  16.407  27.837  35.161
   22    HB3  PRO   4           HB3      PRO   4  15.841  29.092  36.310
   23    HG2  PRO   4           HG2      PRO   4  14.162  27.359  34.486
   24    HG3  PRO   4           HG3      PRO   4  13.926  27.643  36.235
   25    HD2  PRO   4           HD2      PRO   4  12.562  29.051  34.327
   26    HD3  PRO   4           HD3      PRO   4  13.063  29.787  35.878
   27    H    SER   5           H        SER   5  17.991  29.586  33.269
   28    HA   SER   5           HA       SER   5  17.352  27.859  30.983
   29    HB2  SER   5           HB2      SER   5  18.333  29.323  29.325
   30    HB3  SER   5           HB3      SER   5  16.955  30.112  30.002
   31    HG   SER   5           HG       SER   5  18.711  31.558  29.908
   32    H    ILE   6           H        ILE   6  19.835  28.436  29.659
   33    HA   ILE   6           HA       ILE   6  21.324  26.345  30.741
   34    HB   ILE   6           HB       ILE   6  22.832  26.602  29.050
   35   HG12  ILE   6          HG12      ILE   6  22.035  29.481  28.684
   36   HG13  ILE   6          HG13      ILE   6  23.608  28.885  29.183
   37   HG21  ILE   6          HG21      ILE   6  20.451  26.066  28.522
   38   HG22  ILE   6          HG22      ILE   6  20.277  27.718  27.872
   39   HG23  ILE   6          HG23      ILE   6  21.451  26.598  27.162
   40   HD11  ILE   6          HD11      ILE   6  23.956  27.896  26.940
   41   HD12  ILE   6          HD12      ILE   6  22.363  28.432  26.416
   42   HD13  ILE   6          HD13      ILE   6  23.608  29.626  26.828
   43    H    ALA   7           H        ALA   7  21.637  29.715  31.451
   44    HA   ALA   7           HA       ALA   7  24.224  29.940  32.463
   45    HB1  ALA   7           HB1      ALA   7  23.327  31.762  33.841
   46    HB2  ALA   7           HB2      ALA   7  22.588  31.788  32.231
   47    HB3  ALA   7           HB3      ALA   7  21.674  31.155  33.619
   48    H    SER   8           H        SER   8  21.394  28.477  34.159
   49    HA   SER   8           HA       SER   8  22.746  28.078  36.664
   50    HB2  SER   8           HB2      SER   8  20.341  26.747  35.371
   51    HB3  SER   8           HB3      SER   8  20.979  26.222  36.939
   52    HG   SER   8           HG       SER   8  19.881  28.743  36.225
   53    H    MET   9           H        MET   9  22.733  26.138  33.680
   54    HA   MET   9           HA       MET   9  23.917  23.726  34.742
   55    HB2  MET   9           HB2      MET   9  24.352  24.849  31.949
   56    HB3  MET   9           HB3      MET   9  24.381  23.178  32.454
   57    HG2  MET   9           HG2      MET   9  21.958  23.168  32.761
   58    HG3  MET   9           HG3      MET   9  21.873  24.886  32.376
   59    HE1  MET   9           HE1      MET   9  20.138  22.612  30.821
   60    HE2  MET   9           HE2      MET   9  20.008  24.364  30.547
   61    HE3  MET   9           HE3      MET   9  20.259  23.256  29.177
   62    H    ILE  10           H        ILE  10  25.182  26.822  33.617
   63    HA   ILE  10           HA       ILE  10  27.966  26.045  33.473
   64    HB   ILE  10           HB       ILE  10  27.096  28.889  33.475
   65   HG12  ILE  10          HG12      ILE  10  26.462  26.708  31.462
   66   HG13  ILE  10          HG13      ILE  10  25.486  28.071  32.050
   67   HG21  ILE  10          HG21      ILE  10  29.540  28.147  33.393
   68   HG22  ILE  10          HG22      ILE  10  29.178  27.316  31.883
   69   HG23  ILE  10          HG23      ILE  10  29.001  29.085  32.003
   70   HD11  ILE  10          HD11      ILE  10  26.000  28.409  29.780
   71   HD12  ILE  10          HD12      ILE  10  26.948  29.584  30.744
   72   HD13  ILE  10          HD13      ILE  10  27.727  28.102  30.096
   73    H    LYS  11           H        LYS  11  25.887  27.311  35.930
   74    HA   LYS  11           HA       LYS  11  28.022  27.705  37.950
   75    HB2  LYS  11           HB2      LYS  11  25.018  27.879  38.015
   76    HB3  LYS  11           HB3      LYS  11  26.070  28.113  39.430
   77    HG2  LYS  11           HG2      LYS  11  27.284  29.904  38.268
   78    HG3  LYS  11           HG3      LYS  11  26.271  29.707  36.818
   79    HD2  LYS  11           HD2      LYS  11  24.277  30.152  38.192
   80    HD3  LYS  11           HD3      LYS  11  25.333  30.485  39.587
   81    HE2  LYS  11           HE2      LYS  11  25.416  31.955  36.908
   82    HE3  LYS  11           HE3      LYS  11  24.533  32.547  38.322
   83    HZ1  LYS  11           HZ1      LYS  11  26.591  32.693  39.539
   84    HZ2  LYS  11           HZ2      LYS  11  27.474  32.070  38.290
   85    HZ3  LYS  11           HZ3      LYS  11  26.782  33.531  38.120
   86    H    GLY  12           H        GLY  12  26.300  25.036  36.667
   87    HA2  GLY  12           HA2      GLY  12  26.318  23.381  39.092
   88    HA3  GLY  12           HA3      GLY  12  25.834  22.894  37.464
   89    H    ASN  13           H        ASN  13  28.097  23.514  35.991
   90    HA   ASN  13           HA       ASN  13  30.295  21.762  37.069
   91    HB2  ASN  13           HB2      ASN  13  29.341  22.471  34.265
   92    HB3  ASN  13           HB3      ASN  13  30.885  21.690  34.547
   93   HD21  ASN  13          HD21      ASN  13  30.730  19.596  35.938
   94   HD22  ASN  13          HD22      ASN  13  29.348  18.560  35.499
   95    H    LYS  14           H        LYS  14  32.429  22.276  36.451
   96    HA   LYS  14           HA       LYS  14  33.164  25.107  36.674
   97    HB2  LYS  14           HB2      LYS  14  34.446  23.293  37.692
   98    HB3  LYS  14           HB3      LYS  14  34.810  22.619  36.100
   99    HG2  LYS  14           HG2      LYS  14  36.083  24.523  35.427
  100    HG3  LYS  14           HG3      LYS  14  35.584  25.471  36.838
  101    HD2  LYS  14           HD2      LYS  14  37.323  22.936  36.894
  102    HD3  LYS  14           HD3      LYS  14  37.949  24.597  36.901
  103    HE2  LYS  14           HE2      LYS  14  36.726  25.058  38.999
  104    HE3  LYS  14           HE3      LYS  14  36.148  23.366  39.014
  105    HZ1  LYS  14           HZ1      LYS  14  38.380  22.619  39.283
  106    HZ2  LYS  14           HZ2      LYS  14  39.014  24.126  39.126
  107    HZ3  LYS  14           HZ3      LYS  14  38.080  23.776  40.425
  108    H    VAL  15           H        VAL  15  33.303  22.689  34.009
  109    HA   VAL  15           HA       VAL  15  33.351  24.953  32.061
  110    HB   VAL  15           HB       VAL  15  34.799  22.327  31.671
  111   HG11  VAL  15          HG11      VAL  15  34.055  23.325  29.567
  112   HG12  VAL  15          HG12      VAL  15  34.730  24.892  30.036
  113   HG13  VAL  15          HG13      VAL  15  35.801  23.507  29.743
  114   HG21  VAL  15          HG21      VAL  15  36.084  23.420  33.304
  115   HG22  VAL  15          HG22      VAL  15  36.834  23.938  31.787
  116   HG23  VAL  15          HG23      VAL  15  35.746  25.032  32.645
  117    H    VAL  16           H        VAL  16  31.852  24.992  30.554
  118    HA   VAL  16           HA       VAL  16  30.193  22.564  30.004
  119    HB   VAL  16           HB       VAL  16  29.063  25.352  30.427
  120   HG11  VAL  16          HG11      VAL  16  27.720  22.660  29.893
  121   HG12  VAL  16          HG12      VAL  16  26.878  24.172  30.289
  122   HG13  VAL  16          HG13      VAL  16  27.763  24.043  28.764
  123   HG21  VAL  16          HG21      VAL  16  29.634  24.377  32.595
  124   HG22  VAL  16          HG22      VAL  16  27.890  24.203  32.357
  125   HG23  VAL  16          HG23      VAL  16  28.949  22.810  32.096
  126    H    VAL  17           H        VAL  17  29.939  22.169  27.863
  127    HA   VAL  17           HA       VAL  17  30.560  24.331  25.879
  128    HB   VAL  17           HB       VAL  17  31.439  21.420  25.946
  129   HG11  VAL  17          HG11      VAL  17  30.932  22.043  23.614
  130   HG12  VAL  17          HG12      VAL  17  31.934  23.506  23.783
  131   HG13  VAL  17          HG13      VAL  17  32.665  21.881  23.861
  132   HG21  VAL  17          HG21      VAL  17  32.958  24.028  26.136
  133   HG22  VAL  17          HG22      VAL  17  32.834  22.756  27.365
  134   HG23  VAL  17          HG23      VAL  17  33.722  22.446  25.872
  135    H    PHE  18           H        PHE  18  29.359  24.332  23.927
  136    HA   PHE  18           HA       PHE  18  27.014  22.443  23.784
  137    HB2  PHE  18           HB2      PHE  18  27.039  25.371  23.027
  138    HB3  PHE  18           HB3      PHE  18  25.701  24.254  22.841
  139    HD1  PHE  18           HD1      PHE  18  27.703  26.209  25.261
  140    HD2  PHE  18           HD2      PHE  18  24.332  23.570  24.774
  141    HE1  PHE  18           HE1      PHE  18  26.845  26.890  27.492
  142    HE2  PHE  18           HE2      PHE  18  23.485  24.245  27.013
  143    HZ   PHE  18           HZ       PHE  18  24.716  25.968  28.340
  144    H    SER  19           H        SER  19  26.962  21.262  21.973
  145    HA   SER  19           HA       SER  19  28.712  21.914  19.625
  146    HB2  SER  19           HB2      SER  19  28.794  19.466  21.414
  147    HB3  SER  19           HB3      SER  19  29.676  19.646  19.884
  148    HG   SER  19           HG       SER  19  31.066  20.305  21.382
  149    H    TRP  20           H        TRP  20  28.613  20.125  17.888
  150    HA   TRP  20           HA       TRP  20  26.000  18.648  17.847
  151    HB2  TRP  20           HB2      TRP  20  27.358  19.872  15.427
  152    HB3  TRP  20           HB3      TRP  20  25.978  18.798  15.397
  153    HD1  TRP  20           HD1      TRP  20  24.189  20.190  17.606
  154    HE1  TRP  20           HE1      TRP  20  22.930  22.334  16.950
  155    HE3  TRP  20           HE3      TRP  20  27.101  21.741  13.689
  156    HZ2  TRP  20           HZ2      TRP  20  23.376  24.643  15.292
  157    HZ3  TRP  20           HZ3      TRP  20  26.710  23.995  12.658
  158    HH2  TRP  20           HH2      TRP  20  24.887  25.444  13.468
  159    H    VAL  21           H        VAL  21  26.130  16.471  17.276
  160    HA   VAL  21           HA       VAL  21  28.816  15.316  17.099
  161    HB   VAL  21           HB       VAL  21  26.185  13.862  16.807
  162   HG11  VAL  21          HG11      VAL  21  28.150  12.578  16.024
  163   HG12  VAL  21          HG12      VAL  21  28.992  12.902  17.552
  164   HG13  VAL  21          HG13      VAL  21  27.524  11.899  17.521
  165   HG21  VAL  21          HG21      VAL  21  27.876  14.357  19.294
  166   HG22  VAL  21          HG22      VAL  21  26.208  14.921  19.013
  167   HG23  VAL  21          HG23      VAL  21  26.541  13.200  19.199
  168    H    THR  22           H        THR  22  28.896  14.758  13.504
  169    HA   THR  22           HA       THR  22  30.452  15.038  16.062
  170    HB   THR  22           HB       THR  22  31.507  13.894  13.478
  171    HG1  THR  22           HG1      THR  22  31.075  11.858  14.819
  172   HG21  THR  22          HG21      THR  22  32.230  13.461  16.416
  173   HG22  THR  22          HG22      THR  22  33.135  14.466  15.262
  174   HG23  THR  22          HG23      THR  22  33.038  12.717  15.015
  175    H    CYS  23           H        CYS  23  31.825  16.825  16.230
  176    HA   CYS  23           HA       CYS  23  31.652  18.726  13.928
  177    HB2  CYS  23           HB2      CYS  23  31.172  18.961  16.801
  178    HB3  CYS  23           HB3      CYS  23  32.268  20.209  16.181
  179    HG   CYS  23           HG       CYS  23  29.444  19.320  14.718
  180    HA   PRO  24           HA       PRO  24  36.042  17.993  13.649
  181    HB2  PRO  24           HB2      PRO  24  36.703  19.763  11.641
  182    HB3  PRO  24           HB3      PRO  24  35.869  18.201  11.380
  183    HG2  PRO  24           HG2      PRO  24  34.632  20.953  11.673
  184    HG3  PRO  24           HG3      PRO  24  34.316  19.731  10.394
  185    HD2  PRO  24           HD2      PRO  24  32.668  19.957  12.511
  186    HD3  PRO  24           HD3      PRO  24  33.116  18.337  11.900
  187    H    TYR  25           H        TYR  25  34.720  21.116  14.597
  188    HA   TYR  25           HA       TYR  25  37.281  21.819  15.907
  189    HB2  TYR  25           HB2      TYR  25  34.549  23.131  15.995
  190    HB3  TYR  25           HB3      TYR  25  35.998  23.731  16.782
  191    HD1  TYR  25           HD2      TYR  25  38.191  23.710  15.076
  192    HD2  TYR  25           HD1      TYR  25  34.060  24.286  13.953
  193    HE1  TYR  25           HE2      TYR  25  38.905  24.971  13.055
  194    HE2  TYR  25           HE1      TYR  25  34.793  25.514  11.909
  195    HH   TYR  25           HH       TYR  25  38.240  26.168  11.218
  196    H    CYS  26           H        CYS  26  34.056  20.571  16.902
  197    HA   CYS  26           HA       CYS  26  34.534  20.764  19.683
  198    HB2  CYS  26           HB2      CYS  26  32.393  20.427  18.647
  199    HB3  CYS  26           HB3      CYS  26  32.800  18.756  18.198
  200    HG   CYS  26           HG       CYS  26  33.194  17.812  20.545
  201    H    VAL  27           H        VAL  27  35.395  18.111  17.465
  202    HA   VAL  27           HA       VAL  27  36.491  16.195  19.138
  203    HB   VAL  27           HB       VAL  27  36.358  16.193  16.826
  204   HG11  VAL  27          HG11      VAL  27  38.764  17.705  16.242
  205   HG12  VAL  27          HG12      VAL  27  37.574  16.954  15.164
  206   HG13  VAL  27          HG13      VAL  27  37.057  18.292  16.197
  207   HG21  VAL  27          HG21      VAL  27  38.402  14.847  16.315
  208   HG22  VAL  27          HG22      VAL  27  39.236  15.615  17.684
  209   HG23  VAL  27          HG23      VAL  27  37.860  14.518  17.968
  210    H    ARG  28           H        ARG  28  38.062  18.678  17.692
  211    HA   ARG  28           HA       ARG  28  40.618  18.776  18.996
  212    HB2  ARG  28           HB2      ARG  28  39.265  21.391  18.214
  213    HB3  ARG  28           HB3      ARG  28  40.968  21.084  18.489
  214    HG2  ARG  28           HG2      ARG  28  40.827  19.488  16.470
  215    HG3  ARG  28           HG3      ARG  28  39.262  20.292  16.137
  216    HD2  ARG  28           HD2      ARG  28  40.341  22.486  16.146
  217    HD3  ARG  28           HD3      ARG  28  41.908  21.746  16.509
  218    HE   ARG  28           HE       ARG  28  41.346  20.448  14.243
  219   HH11  ARG  28          HH22      ARG  28  41.170  23.919  14.881
  220   HH12  ARG  28          HH21      ARG  28  41.433  24.295  13.203
  221   HH21  ARG  28          HH12      ARG  28  41.773  21.071  12.137
  222   HH22  ARG  28          HH11      ARG  28  41.401  22.715  11.668
  223    H    ALA  29           H        ALA  29  37.789  20.712  19.924
  224    HA   ALA  29           HA       ALA  29  38.942  21.798  22.290
  225    HB1  ALA  29           HB1      ALA  29  36.000  21.351  21.634
  226    HB2  ALA  29           HB2      ALA  29  36.654  22.440  22.879
  227    HB3  ALA  29           HB3      ALA  29  36.976  22.764  21.161
  228    H    GLU  30           H        GLU  30  36.706  18.920  22.018
  229    HA   GLU  30           HA       GLU  30  36.809  18.221  24.796
  230    HB2  GLU  30           HB2      GLU  30  36.351  16.597  22.254
  231    HB3  GLU  30           HB3      GLU  30  36.384  15.879  23.848
  232    HG2  GLU  30           HG2      GLU  30  34.577  17.747  24.427
  233    HG3  GLU  30           HG3      GLU  30  34.310  17.727  22.674
  234    H    LYS  31           H        LYS  31  39.097  17.449  22.215
  235    HA   LYS  31           HA       LYS  31  40.541  15.509  23.760
  236    HB2  LYS  31           HB2      LYS  31  40.742  15.490  21.347
  237    HB3  LYS  31           HB3      LYS  31  41.078  17.216  21.303
  238    HG2  LYS  31           HG2      LYS  31  43.339  16.730  22.402
  239    HG3  LYS  31           HG3      LYS  31  42.964  15.011  22.175
  240    HD2  LYS  31           HD2      LYS  31  44.341  15.784  20.361
  241    HD3  LYS  31           HD3      LYS  31  42.704  15.438  19.756
  242    HE2  LYS  31           HE2      LYS  31  42.176  17.652  19.391
  243    HE3  LYS  31           HE3      LYS  31  43.360  18.280  20.565
  244    HZ1  LYS  31           HZ1      LYS  31  45.130  17.619  19.008
  245    HZ2  LYS  31           HZ2      LYS  31  44.026  17.111  17.911
  246    HZ3  LYS  31           HZ3      LYS  31  44.106  18.701  18.324
  247    H    LEU  32           H        LEU  32  41.000  18.926  23.130
  248    HA   LEU  32           HA       LEU  32  43.404  19.311  24.658
  249    HB2  LEU  32           HB2      LEU  32  42.700  20.614  22.735
  250    HB3  LEU  32           HB3      LEU  32  41.223  21.086  23.574
  251    HG   LEU  32           HG       LEU  32  42.325  22.626  24.970
  252   HD11  LEU  32          HD11      LEU  32  44.309  21.399  25.657
  253   HD12  LEU  32          HD12      LEU  32  44.984  21.485  24.011
  254   HD13  LEU  32          HD13      LEU  32  44.783  22.962  24.990
  255   HD21  LEU  32          HD21      LEU  32  43.620  22.670  22.205
  256   HD22  LEU  32          HD22      LEU  32  42.011  23.290  22.602
  257   HD23  LEU  32          HD23      LEU  32  43.442  24.077  23.297
  258    H    LEU  33           H        LEU  33  39.927  19.914  25.412
  259    HA   LEU  33           HA       LEU  33  40.404  21.082  27.962
  260    HB2  LEU  33           HB2      LEU  33  38.006  19.557  26.824
  261    HB3  LEU  33           HB3      LEU  33  37.943  20.404  28.365
  262    HG   LEU  33           HG       LEU  33  38.614  21.755  25.736
  263   HD11  LEU  33          HD11      LEU  33  35.935  21.944  27.051
  264   HD12  LEU  33          HD12      LEU  33  36.468  22.643  25.523
  265   HD13  LEU  33          HD13      LEU  33  36.313  20.888  25.661
  266   HD21  LEU  33          HD21      LEU  33  38.002  23.840  26.974
  267   HD22  LEU  33          HD22      LEU  33  37.797  22.874  28.444
  268   HD23  LEU  33          HD23      LEU  33  39.403  23.031  27.686
  269    H    HIS  34           H        HIS  34  39.909  17.679  27.038
  270    HA   HIS  34           HA       HIS  34  40.233  16.601  29.704
  271    HB2  HIS  34           HB2      HIS  34  40.345  15.444  26.900
  272    HB3  HIS  34           HB3      HIS  34  40.662  14.480  28.336
  273    HD1  HIS  34           HD1      HIS  34  38.595  13.030  28.742
  274    HD2  HIS  34           HD2      HIS  34  37.675  16.920  27.450
  275    HE1  HIS  34           HE1      HIS  34  36.050  13.202  28.725
  276    H    ALA  35           H        ALA  35  42.587  17.482  27.090
  277    HA   ALA  35           HA       ALA  35  44.820  16.174  28.425
  278    HB1  ALA  35           HB1      ALA  35  44.808  18.390  26.327
  279    HB2  ALA  35           HB2      ALA  35  46.165  17.326  26.742
  280    HB3  ALA  35           HB3      ALA  35  44.726  16.653  25.982
  281    H    ARG  36           H        ARG  36  43.273  19.220  28.853
  282    HA   ARG  36           HA       ARG  36  45.489  20.355  30.529
  283    HB2  ARG  36           HB2      ARG  36  43.466  21.400  28.622
  284    HB3  ARG  36           HB3      ARG  36  43.709  22.394  29.993
  285    HG2  ARG  36           HG2      ARG  36  45.055  23.127  28.157
  286    HG3  ARG  36           HG3      ARG  36  46.008  22.757  29.597
  287    HD2  ARG  36           HD2      ARG  36  46.974  20.835  28.617
  288    HD3  ARG  36           HD3      ARG  36  45.776  20.790  27.305
  289    HE   ARG  36           HE       ARG  36  47.049  23.314  27.184
  290   HH11  ARG  36          HH22      ARG  36  48.297  20.014  26.845
  291   HH12  ARG  36          HH21      ARG  36  49.310  20.481  25.511
  292   HH21  ARG  36          HH12      ARG  36  48.397  23.803  25.583
  293   HH22  ARG  36          HH11      ARG  36  49.418  22.571  24.846
  294    H    THR  37           H        THR  37  43.069  18.523  31.236
  295    HA   THR  37           HA       THR  37  41.969  18.030  33.168
  296    HB   THR  37           HB       THR  37  43.095  20.206  34.787
  297    HG1  THR  37           HG1      THR  37  45.100  18.958  34.986
  298   HG21  THR  37          HG21      THR  37  43.591  18.361  36.385
  299   HG22  THR  37          HG22      THR  37  43.084  17.167  35.166
  300   HG23  THR  37          HG23      THR  37  41.909  18.305  35.855
  301    H    LYS  38           H        LYS  38  40.802  20.135  31.392
  302    HA   LYS  38           HA       LYS  38  39.342  21.928  33.265
  303    HB2  LYS  38           HB2      LYS  38  39.240  21.377  30.283
  304    HB3  LYS  38           HB3      LYS  38  37.877  22.082  31.119
  305    HG2  LYS  38           HG2      LYS  38  39.115  23.888  30.201
  306    HG3  LYS  38           HG3      LYS  38  39.368  23.959  31.927
  307    HD2  LYS  38           HD2      LYS  38  41.470  22.463  30.409
  308    HD3  LYS  38           HD3      LYS  38  41.308  24.169  29.975
  309    HE2  LYS  38           HE2      LYS  38  41.431  24.733  32.457
  310    HE3  LYS  38           HE3      LYS  38  41.852  23.019  32.717
  311    HZ1  LYS  38           HZ1      LYS  38  43.570  24.712  30.961
  312    HZ2  LYS  38           HZ2      LYS  38  43.789  24.616  32.576
  313    HZ3  LYS  38           HZ3      LYS  38  43.886  23.289  31.724
  314    H    ASP  39           H        ASP  39  38.154  20.809  34.683
  315    HA   ASP  39           HA       ASP  39  36.721  18.523  34.157
  316    HB2  ASP  39           HB2      ASP  39  37.111  19.597  36.478
  317    HB3  ASP  39           HB3      ASP  39  35.755  20.625  36.141
  318    H    ILE  40           H        ILE  40  35.537  18.288  32.461
  319    HA   ILE  40           HA       ILE  40  33.754  20.449  31.563
  320    HB   ILE  40           HB       ILE  40  35.912  20.146  30.522
  321   HG12  ILE  40          HG12      ILE  40  33.484  20.598  29.172
  322   HG13  ILE  40          HG13      ILE  40  35.096  21.182  28.846
  323   HG21  ILE  40          HG21      ILE  40  36.153  17.687  30.739
  324   HG22  ILE  40          HG22      ILE  40  34.980  17.464  29.443
  325   HG23  ILE  40          HG23      ILE  40  36.530  18.281  29.136
  326   HD11  ILE  40          HD11      ILE  40  33.940  18.618  27.686
  327   HD12  ILE  40          HD12      ILE  40  34.084  20.172  26.854
  328   HD13  ILE  40          HD13      ILE  40  35.551  19.305  27.329
  329    H    THR  41           H        THR  41  31.808  20.292  30.935
  330    HA   THR  41           HA       THR  41  30.509  17.670  30.244
  331    HB   THR  41           HB       THR  41  29.482  20.172  31.622
  332    HG1  THR  41           HG1      THR  41  28.868  18.642  33.147
  333   HG21  THR  41          HG21      THR  41  27.834  17.913  30.424
  334   HG22  THR  41          HG22      THR  41  27.721  19.655  30.062
  335   HG23  THR  41          HG23      THR  41  27.236  19.055  31.651
  336    H    VAL  42           H        VAL  42  29.784  17.550  28.082
  337    HA   VAL  42           HA       VAL  42  29.265  20.113  26.702
  338    HB   VAL  42           HB       VAL  42  31.053  19.504  25.621
  339   HG11  VAL  42          HG11      VAL  42  30.541  16.614  25.829
  340   HG12  VAL  42          HG12      VAL  42  31.834  17.407  24.872
  341   HG13  VAL  42          HG13      VAL  42  31.779  17.674  26.607
  342   HG21  VAL  42          HG21      VAL  42  30.555  18.729  23.385
  343   HG22  VAL  42          HG22      VAL  42  29.029  18.023  23.939
  344   HG23  VAL  42          HG23      VAL  42  29.260  19.787  23.964
  345    H    HIS  43           H        HIS  43  27.469  20.509  25.895
  346    HA   HIS  43           HA       HIS  43  25.246  18.573  25.976
  347    HB2  HIS  43           HB2      HIS  43  25.545  21.583  25.943
  348    HB3  HIS  43           HB3      HIS  43  24.017  20.837  25.579
  349    HD1  HIS  43           HD1      HIS  43  25.973  22.007  28.469
  350    HD2  HIS  43           HD2      HIS  43  23.121  19.022  27.703
  351    HE1  HIS  43           HE1      HIS  43  25.072  21.279  30.746
  352    H    TYR  44           H        TYR  44  24.799  17.507  24.144
  353    HA   TYR  44           HA       TYR  44  25.572  18.645  21.494
  354    HB2  TYR  44           HB2      TYR  44  24.876  15.838  22.398
  355    HB3  TYR  44           HB3      TYR  44  24.916  16.332  20.716
  356    HD1  TYR  44           HD2      TYR  44  26.896  17.342  19.698
  357    HD2  TYR  44           HD1      TYR  44  27.075  15.386  23.524
  358    HE1  TYR  44           HE2      TYR  44  29.379  17.137  19.468
  359    HE2  TYR  44           HE1      TYR  44  29.558  15.172  23.297
  360    HH   TYR  44           HH       TYR  44  31.465  15.652  21.936
  361    H    VAL  45           H        VAL  45  24.166  20.209  21.092
  362    HA   VAL  45           HA       VAL  45  21.354  19.946  21.656
  363    HB   VAL  45           HB       VAL  45  21.054  22.113  20.672
  364   HG11  VAL  45          HG11      VAL  45  22.481  23.405  22.122
  365   HG12  VAL  45          HG12      VAL  45  22.056  21.901  22.960
  366   HG13  VAL  45          HG13      VAL  45  23.667  22.088  22.231
  367   HG21  VAL  45          HG21      VAL  45  22.916  23.394  19.697
  368   HG22  VAL  45          HG22      VAL  45  23.922  21.931  19.690
  369   HG23  VAL  45          HG23      VAL  45  22.427  22.009  18.717
  370    H    ASP  46           H        ASP  46  23.127  18.765  19.003
  371    HA   ASP  46           HA       ASP  46  20.895  18.648  17.124
  372    HB2  ASP  46           HB2      ASP  46  22.375  17.738  15.675
  373    HB3  ASP  46           HB3      ASP  46  23.498  18.527  16.681
  374    H    LYS  47           H        LYS  47  21.861  16.879  19.916
  375    HA   LYS  47           HA       LYS  47  20.017  14.588  19.397
  376    HB2  LYS  47           HB2      LYS  47  21.908  14.987  21.741
  377    HB3  LYS  47           HB3      LYS  47  21.135  13.499  21.220
  378    HG2  LYS  47           HG2      LYS  47  23.371  14.979  19.779
  379    HG3  LYS  47           HG3      LYS  47  23.532  13.512  20.740
  380    HD2  LYS  47           HD2      LYS  47  22.126  12.282  19.146
  381    HD3  LYS  47           HD3      LYS  47  21.922  13.759  18.166
  382    HE2  LYS  47           HE2      LYS  47  24.378  13.893  17.872
  383    HE3  LYS  47           HE3      LYS  47  24.565  12.386  18.794
  384    HZ1  LYS  47           HZ1      LYS  47  23.114  12.636  16.220
  385    HZ2  LYS  47           HZ2      LYS  47  24.567  11.911  16.409
  386    HZ3  LYS  47           HZ3      LYS  47  23.212  11.263  17.091
  387    H    MET  48           H        MET  48  20.516  17.337  21.557
  388    HA   MET  48           HA       MET  48  18.616  16.470  23.518
  389    HB2  MET  48           HB2      MET  48  20.764  17.712  23.847
  390    HB3  MET  48           HB3      MET  48  19.977  19.163  23.216
  391    HG2  MET  48           HG2      MET  48  18.410  19.157  25.089
  392    HG3  MET  48           HG3      MET  48  19.063  17.608  25.662
  393    HE1  MET  48           HE1      MET  48  18.766  20.126  27.575
  394    HE2  MET  48           HE2      MET  48  19.482  18.590  28.115
  395    HE3  MET  48           HE3      MET  48  20.329  20.126  28.415
  396    H    SER  49           H        SER  49  16.422  16.854  23.711
  397    HA   SER  49           HA       SER  49  14.909  18.240  21.721
  398    HB2  SER  49           HB2      SER  49  14.161  17.437  24.553
  399    HB3  SER  49           HB3      SER  49  13.012  18.042  23.350
  400    HG   SER  49           HG       SER  49  13.198  16.241  22.194
  401    H    GLU  50           H        GLU  50  16.132  19.382  24.851
  402    HA   GLU  50           HA       GLU  50  14.954  22.024  24.628
  403    HB2  GLU  50           HB2      GLU  50  15.864  20.620  26.738
  404    HB3  GLU  50           HB3      GLU  50  17.375  21.406  26.308
  405    HG2  GLU  50           HG2      GLU  50  16.604  22.917  27.805
  406    HG3  GLU  50           HG3      GLU  50  15.829  23.611  26.383
  407    H    GLY  51           H        GLY  51  17.516  20.668  22.928
  408    HA2  GLY  51           HA2      GLY  51  19.623  22.440  22.997
  409    HA3  GLY  51           HA3      GLY  51  19.127  21.509  21.585
  410    H    GLU  52           H        GLU  52  16.508  23.128  21.319
  411    HA   GLU  52           HA       GLU  52  17.670  25.182  19.585
  412    HB2  GLU  52           HB2      GLU  52  15.842  23.740  18.814
  413    HB3  GLU  52           HB3      GLU  52  14.968  23.955  20.300
  414    HG2  GLU  52           HG2      GLU  52  13.726  25.121  18.871
  415    HG3  GLU  52           HG3      GLU  52  14.646  26.366  19.709
  416    H    GLN  53           H        GLN  53  15.919  24.918  22.682
  417    HA   GLN  53           HA       GLN  53  15.597  27.772  23.075
  418    HB2  GLN  53           HB2      GLN  53  14.127  25.998  23.987
  419    HB3  GLN  53           HB3      GLN  53  15.433  25.454  25.049
  420    HG2  GLN  53           HG2      GLN  53  15.359  27.492  26.324
  421    HG3  GLN  53           HG3      GLN  53  14.426  28.308  25.063
  422   HE21  GLN  53          HE21      GLN  53  12.821  28.908  26.602
  423   HE22  GLN  53          HE22      GLN  53  11.552  27.748  26.966
  424    H    LEU  54           H        LEU  54  18.060  25.355  24.010
  425    HA   LEU  54           HA       LEU  54  19.690  27.178  25.556
  426    HB2  LEU  54           HB2      LEU  54  20.501  24.699  23.995
  427    HB3  LEU  54           HB3      LEU  54  21.537  25.579  25.074
  428    HG   LEU  54           HG       LEU  54  20.898  24.501  26.872
  429   HD11  LEU  54          HD11      LEU  54  17.969  24.436  26.117
  430   HD12  LEU  54          HD12      LEU  54  18.686  24.070  27.692
  431   HD13  LEU  54          HD13      LEU  54  18.713  25.721  27.069
  432   HD21  LEU  54          HD21      LEU  54  20.103  22.315  26.677
  433   HD22  LEU  54          HD22      LEU  54  19.331  22.648  25.126
  434   HD23  LEU  54          HD23      LEU  54  21.110  22.662  25.264
  435    H    ARG  55           H        ARG  55  19.720  26.286  22.049
  436    HA   ARG  55           HA       ARG  55  21.740  28.155  21.232
  437    HB2  ARG  55           HB2      ARG  55  19.296  27.022  19.798
  438    HB3  ARG  55           HB3      ARG  55  20.407  28.159  19.032
  439    HG2  ARG  55           HG2      ARG  55  22.287  26.611  19.471
  440    HG3  ARG  55           HG3      ARG  55  21.183  25.416  20.124
  441    HD2  ARG  55           HD2      ARG  55  20.970  26.573  17.306
  442    HD3  ARG  55           HD3      ARG  55  21.872  25.122  17.718
  443    HE   ARG  55           HE       ARG  55  19.952  23.891  18.124
  444   HH11  ARG  55          HH22      ARG  55  19.007  27.055  16.765
  445   HH12  ARG  55          HH21      ARG  55  17.440  26.402  16.376
  446   HH21  ARG  55          HH12      ARG  55  18.116  23.199  17.342
  447   HH22  ARG  55          HH11      ARG  55  16.940  24.349  16.708
  448    H    GLY  56           H        GLY  56  18.265  28.687  21.794
  449    HA2  GLY  56           HA2      GLY  56  18.067  31.402  21.094
  450    HA3  GLY  56           HA3      GLY  56  17.114  30.586  22.339
  451    H    GLU  57           H        GLU  57  19.554  30.061  24.099
  452    HA   GLU  57           HA       GLU  57  19.827  32.794  25.229
  453    HB2  GLU  57           HB2      GLU  57  20.893  30.105  26.111
  454    HB3  GLU  57           HB3      GLU  57  21.196  31.623  26.944
  455    HG2  GLU  57           HG2      GLU  57  18.524  30.150  26.759
  456    HG3  GLU  57           HG3      GLU  57  19.603  30.466  28.080
  457    H    ILE  58           H        ILE  58  21.930  30.414  23.566
  458    HA   ILE  58           HA       ILE  58  24.330  31.985  23.977
  459    HB   ILE  58           HB       ILE  58  23.853  29.916  21.805
  460   HG12  ILE  58          HG12      ILE  58  25.152  29.367  24.514
  461   HG13  ILE  58          HG13      ILE  58  23.448  29.061  24.216
  462   HG21  ILE  58          HG21      ILE  58  26.458  30.805  23.152
  463   HG22  ILE  58          HG22      ILE  58  26.289  29.691  21.777
  464   HG23  ILE  58          HG23      ILE  58  25.912  31.394  21.578
  465   HD11  ILE  58          HD11      ILE  58  24.057  27.544  22.319
  466   HD12  ILE  58          HD12      ILE  58  25.763  27.714  22.800
  467   HD13  ILE  58          HD13      ILE  58  24.586  27.005  23.921
  468    H    TYR  59           H        TYR  59  22.090  31.656  21.152
  469    HA   TYR  59           HA       TYR  59  23.674  33.348  19.517
  470    HB2  TYR  59           HB2      TYR  59  21.844  31.612  18.876
  471    HB3  TYR  59           HB3      TYR  59  20.726  32.964  19.013
  472    HD1  TYR  59           HD1      TYR  59  21.120  35.022  17.495
  473    HD2  TYR  59           HD2      TYR  59  23.378  31.390  17.116
  474    HE1  TYR  59           HE1      TYR  59  21.982  35.791  15.290
  475    HE2  TYR  59           HE2      TYR  59  24.284  32.162  14.924
  476    HH   TYR  59           HH       TYR  59  23.472  35.379  13.592
  477    H    GLN  60           H        GLN  60  20.865  34.153  21.633
  478    HA   GLN  60           HA       GLN  60  20.539  36.793  20.526
  479    HB2  GLN  60           HB2      GLN  60  19.765  35.622  23.226
  480    HB3  GLN  60           HB3      GLN  60  19.227  37.199  22.646
  481    HG2  GLN  60           HG2      GLN  60  18.632  34.588  21.174
  482    HG3  GLN  60           HG3      GLN  60  17.592  35.278  22.410
  483   HE21  GLN  60          HE21      GLN  60  16.024  35.072  20.648
  484   HE22  GLN  60          HE22      GLN  60  15.885  36.384  19.487
  485    H    ALA  61           H        ALA  61  22.642  35.541  23.094
  486    HA   ALA  61           HA       ALA  61  23.583  38.215  23.868
  487    HB1  ALA  61           HB1      ALA  61  23.275  36.482  25.556
  488    HB2  ALA  61           HB2      ALA  61  24.398  35.402  24.700
  489    HB3  ALA  61           HB3      ALA  61  24.992  36.905  25.434
  490    H    TYR  62           H        TYR  62  24.908  35.435  21.975
  491    HA   TYR  62           HA       TYR  62  27.444  36.975  21.635
  492    HB2  TYR  62           HB2      TYR  62  27.072  33.976  21.653
  493    HB3  TYR  62           HB3      TYR  62  28.588  34.865  21.653
  494    HD1  TYR  62           HD1      TYR  62  28.873  36.617  23.675
  495    HD2  TYR  62           HD2      TYR  62  26.296  33.170  23.709
  496    HE1  TYR  62           HE1      TYR  62  28.853  36.646  26.165
  497    HE2  TYR  62           HE2      TYR  62  26.256  33.212  26.193
  498    HH   TYR  62           HH       TYR  62  26.923  34.293  28.062
  499    H    LYS  63           H        LYS  63  24.848  36.088  19.723
  500    HA   LYS  63           HA       LYS  63  24.482  35.536  17.601
  501    HB2  LYS  63           HB2      LYS  63  26.899  37.311  17.086
  502    HB3  LYS  63           HB3      LYS  63  25.731  36.841  15.858
  503    HG2  LYS  63           HG2      LYS  63  25.071  38.495  18.323
  504    HG3  LYS  63           HG3      LYS  63  25.391  39.125  16.706
  505    HD2  LYS  63           HD2      LYS  63  23.448  37.798  15.834
  506    HD3  LYS  63           HD3      LYS  63  23.071  37.314  17.507
  507    HE2  LYS  63           HE2      LYS  63  22.858  39.697  18.142
  508    HE3  LYS  63           HE3      LYS  63  23.230  40.180  16.476
  509    HZ1  LYS  63           HZ1      LYS  63  21.217  39.049  15.750
  510    HZ2  LYS  63           HZ2      LYS  63  20.894  38.512  17.263
  511    HZ3  LYS  63           HZ3      LYS  63  20.817  40.109  16.955
  512    H    HIS  64           H        HIS  64  25.848  33.521  18.874
  513    HA   HIS  64           HA       HIS  64  26.823  32.048  16.508
  514    HB2  HIS  64           HB2      HIS  64  28.133  31.874  19.252
  515    HB3  HIS  64           HB3      HIS  64  28.478  30.836  17.876
  516    HD1  HIS  64           HD1      HIS  64  29.543  32.345  15.624
  517    HD2  HIS  64           HD2      HIS  64  29.813  33.797  19.567
  518    HE1  HIS  64           HE1      HIS  64  31.402  34.086  15.627
  519    H    GLU  65           H        GLU  65  26.199  29.823  16.558
  520    HA   GLU  65           HA       GLU  65  24.489  28.990  18.895
  521    HB2  GLU  65           HB2      GLU  65  23.246  27.535  17.469
  522    HB3  GLU  65           HB3      GLU  65  23.153  29.193  16.899
  523    HG2  GLU  65           HG2      GLU  65  24.956  28.576  15.186
  524    HG3  GLU  65           HG3      GLU  65  24.720  26.897  15.672
  525    H    THR  66           H        THR  66  27.014  27.813  16.640
  526    HA   THR  66           HA       THR  66  28.351  26.739  18.941
  527    HB   THR  66           HB       THR  66  26.853  24.795  18.406
  528    HG1  THR  66           HG1      THR  66  28.533  24.149  19.491
  529   HG21  THR  66          HG21      THR  66  28.654  24.476  15.973
  530   HG22  THR  66          HG22      THR  66  26.928  24.900  15.928
  531   HG23  THR  66          HG23      THR  66  27.444  23.328  16.575
  532    H    VAL  67           H        VAL  67  30.462  26.298  18.568
  533    HA   VAL  67           HA       VAL  67  31.765  27.070  16.049
  534    HB   VAL  67           HB       VAL  67  32.771  28.489  18.484
  535   HG11  VAL  67          HG11      VAL  67  33.993  28.632  16.324
  536   HG12  VAL  67          HG12      VAL  67  32.541  29.299  15.560
  537   HG13  VAL  67          HG13      VAL  67  33.383  30.205  16.832
  538   HG21  VAL  67          HG21      VAL  67  31.403  30.484  18.051
  539   HG22  VAL  67          HG22      VAL  67  30.418  29.566  16.899
  540   HG23  VAL  67          HG23      VAL  67  30.421  29.142  18.634
  541    HA   PRO  68           HA       PRO  68  30.949  24.965  19.259
  542    HB2  PRO  68           HB2      PRO  68  31.962  23.937  21.494
  543    HB3  PRO  68           HB3      PRO  68  31.889  23.014  19.980
  544    HG2  PRO  68           HG2      PRO  68  34.261  24.603  21.008
  545    HG3  PRO  68           HG3      PRO  68  34.230  22.880  20.503
  546    HD2  PRO  68           HD2      PRO  68  34.997  24.783  18.764
  547    HD3  PRO  68           HD3      PRO  68  33.907  23.473  18.221
  548    H    ALA  69           H        ALA  69  30.020  25.797  21.217
  549    HA   ALA  69           HA       ALA  69  31.152  28.427  22.071
  550    HB1  ALA  69           HB1      ALA  69  28.381  27.207  22.450
  551    HB2  ALA  69           HB2      ALA  69  28.894  28.808  23.008
  552    HB3  ALA  69           HB3      ALA  69  28.819  28.461  21.270
  553    H    ILE  70           H        ILE  70  32.096  28.594  24.040
  554    HA   ILE  70           HA       ILE  70  32.143  26.192  25.821
  555    HB   ILE  70           HB       ILE  70  34.415  27.924  24.785
  556   HG12  ILE  70          HG12      ILE  70  34.203  24.928  24.390
  557   HG13  ILE  70          HG13      ILE  70  33.488  26.048  23.240
  558   HG21  ILE  70          HG21      ILE  70  35.923  26.397  26.098
  559   HG22  ILE  70          HG22      ILE  70  34.875  27.358  27.118
  560   HG23  ILE  70          HG23      ILE  70  34.490  25.650  26.823
  561   HD11  ILE  70          HD11      ILE  70  35.733  25.366  22.519
  562   HD12  ILE  70          HD12      ILE  70  35.646  27.113  22.814
  563   HD13  ILE  70          HD13      ILE  70  36.426  26.037  23.994
  564    H    PHE  71           H        PHE  71  32.028  26.617  27.982
  565    HA   PHE  71           HA       PHE  71  32.299  29.443  28.880
  566    HB2  PHE  71           HB2      PHE  71  30.063  27.512  29.556
  567    HB3  PHE  71           HB3      PHE  71  30.312  29.103  30.264
  568    HD1  PHE  71           HD2      PHE  71  29.489  27.355  27.059
  569    HD2  PHE  71           HD1      PHE  71  29.459  31.074  29.246
  570    HE1  PHE  71           HE2      PHE  71  28.051  28.389  25.307
  571    HE2  PHE  71           HE1      PHE  71  27.991  32.071  27.521
  572    HZ   PHE  71           HZ       PHE  71  27.277  30.719  25.550
  573    H    ILE  72           H        ILE  72  33.156  29.776  30.860
  574    HA   ILE  72           HA       ILE  72  33.767  27.424  32.595
  575    HB   ILE  72           HB       ILE  72  35.774  29.604  31.899
  576   HG12  ILE  72          HG12      ILE  72  35.563  26.670  31.116
  577   HG13  ILE  72          HG13      ILE  72  35.566  28.058  30.041
  578   HG21  ILE  72          HG21      ILE  72  35.941  28.868  34.260
  579   HG22  ILE  72          HG22      ILE  72  35.964  27.169  33.749
  580   HG23  ILE  72          HG23      ILE  72  37.302  28.263  33.346
  581   HD11  ILE  72          HD11      ILE  72  37.667  26.926  29.859
  582   HD12  ILE  72          HD12      ILE  72  37.946  28.494  30.631
  583   HD13  ILE  72          HD13      ILE  72  37.954  26.995  31.601
  584    H    ASN  73           H        ASN  73  32.983  27.731  34.568
  585    HA   ASN  73           HA       ASN  73  31.754  28.700  36.218
  586    HB2  ASN  73           HB2      ASN  73  34.145  30.572  36.169
  587    HB3  ASN  73           HB3      ASN  73  33.033  30.395  37.522
  588   HD21  ASN  73          HD21      ASN  73  35.852  29.918  37.581
  589   HD22  ASN  73          HD22      ASN  73  36.115  28.203  37.908
  590    H    GLY  74           H        GLY  74  30.670  29.591  33.750
  591    HA2  GLY  74           HA2      GLY  74  28.900  31.029  33.185
  592    HA3  GLY  74           HA3      GLY  74  29.302  32.075  34.534
  593    H    ASN  75           H        ASN  75  32.214  31.757  32.901
  594    HA   ASN  75           HA       ASN  75  31.806  34.274  31.375
  595    HB2  ASN  75           HB2      ASN  75  34.333  32.729  32.109
  596    HB3  ASN  75           HB3      ASN  75  34.300  34.258  31.255
  597   HD21  ASN  75          HD21      ASN  75  35.838  34.359  33.382
  598   HD22  ASN  75          HD22      ASN  75  35.014  35.049  34.780
  599    H    PHE  76           H        PHE  76  32.346  34.435  29.130
  600    HA   PHE  76           HA       PHE  76  31.855  31.884  27.674
  601    HB2  PHE  76           HB2      PHE  76  30.164  33.525  27.363
  602    HB3  PHE  76           HB3      PHE  76  31.340  34.786  27.023
  603    HD1  PHE  76           HD1      PHE  76  30.385  31.378  25.677
  604    HD2  PHE  76           HD2      PHE  76  31.678  35.393  24.786
  605    HE1  PHE  76           HE1      PHE  76  30.225  30.895  23.256
  606    HE2  PHE  76           HE2      PHE  76  31.531  34.902  22.362
  607    HZ   PHE  76           HZ       PHE  76  30.797  32.652  21.589
  608    H    ILE  77           H        ILE  77  33.027  31.073  26.116
  609    HA   ILE  77           HA       ILE  77  35.252  32.515  24.776
  610    HB   ILE  77           HB       ILE  77  35.274  29.665  25.847
  611   HG12  ILE  77          HG12      ILE  77  37.231  31.861  26.594
  612   HG13  ILE  77          HG13      ILE  77  35.789  31.519  27.541
  613   HG21  ILE  77          HG21      ILE  77  37.564  29.492  24.896
  614   HG22  ILE  77          HG22      ILE  77  36.385  29.769  23.634
  615   HG23  ILE  77          HG23      ILE  77  37.398  31.115  24.205
  616   HD11  ILE  77          HD11      ILE  77  36.509  29.192  27.912
  617   HD12  ILE  77          HD12      ILE  77  38.030  29.528  27.057
  618   HD13  ILE  77          HD13      ILE  77  37.648  30.387  28.557
  619    H    GLY  78           H        GLY  78  35.172  32.122  22.460
  620    HA2  GLY  78           HA2      GLY  78  33.403  29.848  21.583
  621    HA3  GLY  78           HA3      GLY  78  33.069  31.447  20.949
  622    H    GLY  79           H        GLY  79  34.531  28.618  20.408
  623    HA2  GLY  79           HA2      GLY  79  35.434  28.136  18.151
  624    HA3  GLY  79           HA3      GLY  79  36.439  29.582  18.312
  625    H    CYS  80           H        CYS  80  37.242  26.695  17.978
  626    HA   CYS  80           HA       CYS  80  38.440  25.863  20.517
  627    HB2  CYS  80           HB2      CYS  80  37.878  24.236  18.730
  628    HB3  CYS  80           HB3      CYS  80  39.085  24.994  17.669
  629    HG   CYS  80           HG       CYS  80  41.164  24.590  19.212
  630    H    SER  81           H        SER  81  39.560  27.702  17.621
  631    HA   SER  81           HA       SER  81  42.199  28.212  18.524
  632    HB2  SER  81           HB2      SER  81  40.369  30.036  16.919
  633    HB3  SER  81           HB3      SER  81  42.143  30.136  17.008
  634    HG   SER  81           HG       SER  81  42.277  28.089  16.090
  635    H    ASP  82           H        ASP  82  39.156  29.768  19.496
  636    HA   ASP  82           HA       ASP  82  40.330  31.991  20.899
  637    HB2  ASP  82           HB2      ASP  82  37.908  31.465  19.984
  638    HB3  ASP  82           HB3      ASP  82  37.641  30.744  21.551
  639    H    LEU  83           H        LEU  83  39.177  28.799  21.882
  640    HA   LEU  83           HA       LEU  83  39.879  28.911  24.675
  641    HB2  LEU  83           HB2      LEU  83  38.360  27.229  23.703
  642    HB3  LEU  83           HB3      LEU  83  39.631  26.626  22.669
  643    HG   LEU  83           HG       LEU  83  40.927  25.922  24.682
  644   HD11  LEU  83          HD11      LEU  83  39.670  25.647  26.815
  645   HD12  LEU  83          HD12      LEU  83  39.897  27.349  26.397
  646   HD13  LEU  83          HD13      LEU  83  38.321  26.576  26.127
  647   HD21  LEU  83          HD21      LEU  83  39.546  24.362  23.349
  648   HD22  LEU  83          HD22      LEU  83  39.676  23.901  25.049
  649   HD23  LEU  83          HD23      LEU  83  38.181  24.654  24.451
  650    H    GLU  84           H        GLU  84  41.680  27.649  21.844
  651    HA   GLU  84           HA       GLU  84  44.095  26.880  23.153
  652    HB2  GLU  84           HB2      GLU  84  43.505  27.908  20.351
  653    HB3  GLU  84           HB3      GLU  84  45.104  27.379  20.856
  654    HG2  GLU  84           HG2      GLU  84  44.324  25.119  21.227
  655    HG3  GLU  84           HG3      GLU  84  42.650  25.571  20.896
  656    H    ALA  85           H        ALA  85  42.974  30.077  22.035
  657    HA   ALA  85           HA       ALA  85  45.504  31.369  22.217
  658    HB1  ALA  85           HB1      ALA  85  43.572  32.289  20.961
  659    HB2  ALA  85           HB2      ALA  85  42.664  32.508  22.467
  660    HB3  ALA  85           HB3      ALA  85  44.136  33.457  22.168
  661    H    LEU  86           H        LEU  86  42.957  30.799  24.707
  662    HA   LEU  86           HA       LEU  86  44.342  32.382  26.730
  663    HB2  LEU  86           HB2      LEU  86  42.176  30.248  26.976
  664    HB3  LEU  86           HB3      LEU  86  42.716  31.308  28.274
  665    HG   LEU  86           HG       LEU  86  41.346  32.215  25.700
  666   HD11  LEU  86          HD11      LEU  86  39.869  31.015  27.240
  667   HD12  LEU  86          HD12      LEU  86  40.349  32.094  28.572
  668   HD13  LEU  86          HD13      LEU  86  39.458  32.738  27.175
  669   HD21  LEU  86          HD21      LEU  86  42.836  33.995  26.501
  670   HD22  LEU  86          HD22      LEU  86  41.152  34.415  26.818
  671   HD23  LEU  86          HD23      LEU  86  42.162  33.826  28.151
  672    H    ASP  87           H        ASP  87  44.432  29.009  25.735
  673    HA   ASP  87           HA       ASP  87  46.193  28.021  27.819
  674    HB2  ASP  87           HB2      ASP  87  44.802  26.649  26.231
  675    HB3  ASP  87           HB3      ASP  87  45.905  27.079  24.945
  676    H    LYS  88           H        LYS  88  46.774  29.607  24.710
  677    HA   LYS  88           HA       LYS  88  49.687  29.698  24.949
  678    HB2  LYS  88           HB2      LYS  88  47.604  30.832  23.106
  679    HB3  LYS  88           HB3      LYS  88  49.112  31.728  23.229
  680    HG2  LYS  88           HG2      LYS  88  49.178  30.110  21.404
  681    HG3  LYS  88           HG3      LYS  88  50.427  29.824  22.625
  682    HD2  LYS  88           HD2      LYS  88  49.190  27.904  23.533
  683    HD3  LYS  88           HD3      LYS  88  47.800  28.285  22.519
  684    HE2  LYS  88           HE2      LYS  88  49.033  26.466  21.523
  685    HE3  LYS  88           HE3      LYS  88  49.071  27.904  20.487
  686    HZ1  LYS  88           HZ1      LYS  88  51.278  27.159  22.343
  687    HZ2  LYS  88           HZ2      LYS  88  51.298  26.726  20.778
  688    HZ3  LYS  88           HZ3      LYS  88  51.341  28.314  21.189
  689    H    GLU  89           H        GLU  89  47.182  32.144  25.669
  690    HA   GLU  89           HA       GLU  89  49.159  34.073  26.513
  691    HB2  GLU  89           HB2      GLU  89  46.128  34.028  26.803
  692    HB3  GLU  89           HB3      GLU  89  47.164  35.373  27.304
  693    HG2  GLU  89           HG2      GLU  89  48.098  35.450  24.981
  694    HG3  GLU  89           HG3      GLU  89  46.844  34.357  24.455
  695    H    GLY  90           H        GLY  90  48.062  31.357  28.168
  696    HA2  GLY  90           HA2      GLY  90  48.835  30.568  30.195
  697    HA3  GLY  90           HA3      GLY  90  49.638  32.115  30.487
  698    H    LYS  91           H        LYS  91  46.141  31.476  29.933
  699    HA   LYS  91           HA       LYS  91  45.491  32.601  32.640
  700    HB2  LYS  91           HB2      LYS  91  44.438  33.012  29.822
  701    HB3  LYS  91           HB3      LYS  91  43.423  33.282  31.212
  702    HG2  LYS  91           HG2      LYS  91  44.999  34.927  32.141
  703    HG3  LYS  91           HG3      LYS  91  46.089  34.678  30.773
  704    HD2  LYS  91           HD2      LYS  91  43.216  35.696  30.522
  705    HD3  LYS  91           HD3      LYS  91  44.643  36.738  30.616
  706    HE2  LYS  91           HE2      LYS  91  45.579  35.722  28.598
  707    HE3  LYS  91           HE3      LYS  91  44.178  34.645  28.457
  708    HZ1  LYS  91           HZ1      LYS  91  44.006  36.604  27.033
  709    HZ2  LYS  91           HZ2      LYS  91  42.782  36.623  28.176
  710    HZ3  LYS  91           HZ3      LYS  91  44.071  37.606  28.331
  711    H    LEU  92           H        LEU  92  45.131  29.805  30.686
  712    HA   LEU  92           HA       LEU  92  42.414  29.158  31.663
  713    HB2  LEU  92           HB2      LEU  92  43.293  28.983  29.258
  714    HB3  LEU  92           HB3      LEU  92  44.346  27.725  29.783
  715    HG   LEU  92           HG       LEU  92  42.451  26.286  30.392
  716   HD11  LEU  92          HD11      LEU  92  40.711  27.886  30.978
  717   HD12  LEU  92          HD12      LEU  92  40.722  28.560  29.331
  718   HD13  LEU  92          HD13      LEU  92  40.149  26.906  29.623
  719   HD21  LEU  92          HD21      LEU  92  41.660  25.833  28.101
  720   HD22  LEU  92          HD22      LEU  92  42.209  27.441  27.577
  721   HD23  LEU  92          HD23      LEU  92  43.383  26.220  28.090
  722    H    ASP  93           H        ASP  93  45.692  28.183  32.335
  723    HA   ASP  93           HA       ASP  93  45.153  26.164  34.223
  724    HB2  ASP  93           HB2      ASP  93  47.402  26.927  34.828
  725    HB3  ASP  93           HB3      ASP  93  47.248  26.555  33.134
  726    H    GLY  94           H        GLY  94  45.406  29.782  34.488
  727    HA2  GLY  94           HA2      GLY  94  44.935  29.952  37.311
  728    HA3  GLY  94           HA3      GLY  94  44.653  31.227  36.115
  729    H    LEU  95           H        LEU  95  42.777  29.502  34.562
  730    HA   LEU  95           HA       LEU  95  40.331  30.117  36.032
  731    HB2  LEU  95           HB2      LEU  95  40.977  28.971  33.316
  732    HB3  LEU  95           HB3      LEU  95  39.353  28.852  33.948
  733    HG   LEU  95           HG       LEU  95  40.825  31.506  33.681
  734   HD11  LEU  95          HD11      LEU  95  38.722  30.251  31.867
  735   HD12  LEU  95          HD12      LEU  95  39.407  31.877  31.706
  736   HD13  LEU  95          HD13      LEU  95  40.445  30.474  31.464
  737   HD21  LEU  95          HD21      LEU  95  38.515  32.444  33.848
  738   HD22  LEU  95          HD22      LEU  95  37.889  30.821  34.186
  739   HD23  LEU  95          HD23      LEU  95  38.995  31.622  35.325
  740    H    LEU  96           H        LEU  96  42.222  27.181  35.623
  741    HA   LEU  96           HA       LEU  96  40.238  25.380  36.676
  742    HB2  LEU  96           HB2      LEU  96  43.278  25.284  36.846
  743    HB3  LEU  96           HB3      LEU  96  42.248  23.984  37.429
  744    HG   LEU  96           HG       LEU  96  42.304  24.886  34.549
  745   HD11  LEU  96          HD11      LEU  96  43.411  22.442  36.021
  746   HD12  LEU  96          HD12      LEU  96  43.445  22.680  34.274
  747   HD13  LEU  96          HD13      LEU  96  44.377  23.752  35.320
  748   HD21  LEU  96          HD21      LEU  96  41.062  22.617  34.383
  749   HD22  LEU  96          HD22      LEU  96  40.769  22.756  36.098
  750   HD23  LEU  96          HD23      LEU  96  40.119  23.989  34.987
  751    H    SER  97           H        SER  97  41.639  27.937  38.461
  752    HA   SER  97           HA       SER  97  41.967  26.727  41.041
  753    HB2  SER  97           HB2      SER  97  41.349  29.585  40.213
  754    HB3  SER  97           HB3      SER  97  41.690  29.085  41.880
  755    HG   SER  97           HG       SER  97  43.555  29.801  40.864
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  10.616  28.714  36.923
    2    H2   GLY   1           H2       GLY   1   9.819  29.906  37.735
    3    H3   GLY   1           H3       GLY   1  10.767  30.284  36.441
    4    HA2  GLY   1           HA2      GLY   1   8.313  28.655  36.312
    5    HA3  GLY   1           HA3      GLY   1   8.417  30.372  35.885
    6    H    ALA   2           H        ALA   2   7.497  28.572  34.075
    7    HA   ALA   2           HA       ALA   2   7.664  27.742  32.007
    8    HB1  ALA   2           HB1      ALA   2   9.855  29.807  31.591
    9    HB2  ALA   2           HB2      ALA   2   8.796  29.083  30.356
   10    HB3  ALA   2           HB3      ALA   2   8.110  30.154  31.577
   11    H    MET   3           H        MET   3  10.009  27.453  30.270
   12    HA   MET   3           HA       MET   3  11.111  24.932  31.179
   13    HB2  MET   3           HB2      MET   3  10.848  25.262  28.850
   14    HB3  MET   3           HB3      MET   3  11.685  26.814  28.882
   15    HG2  MET   3           HG2      MET   3  13.037  25.037  27.870
   16    HG3  MET   3           HG3      MET   3  13.807  25.791  29.256
   17    HE1  MET   3           HE1      MET   3  15.619  23.981  29.413
   18    HE2  MET   3           HE2      MET   3  15.295  22.233  29.398
   19    HE3  MET   3           HE3      MET   3  14.931  23.219  27.965
   20    HA   PRO   4           HA       PRO   4  14.347  27.103  33.546
   21    HB2  PRO   4           HB2      PRO   4  15.138  24.404  34.498
   22    HB3  PRO   4           HB3      PRO   4  14.662  25.841  35.441
   23    HG2  PRO   4           HG2      PRO   4  13.004  23.670  35.198
   24    HG3  PRO   4           HG3      PRO   4  12.357  25.346  35.196
   25    HD2  PRO   4           HD2      PRO   4  12.987  23.595  32.799
   26    HD3  PRO   4           HD3      PRO   4  11.494  24.488  33.178
   27    H    SER   5           H        SER   5  16.116  27.739  32.458
   28    HA   SER   5           HA       SER   5  17.383  25.858  30.550
   29    HB2  SER   5           HB2      SER   5  16.816  28.812  30.394
   30    HB3  SER   5           HB3      SER   5  17.805  27.938  29.213
   31    HG   SER   5           HG       SER   5  15.417  28.143  28.818
   32    H    ILE   6           H        ILE   6  19.330  26.725  29.531
   33    HA   ILE   6           HA       ILE   6  21.258  25.494  31.031
   34    HB   ILE   6           HB       ILE   6  22.835  26.193  29.220
   35   HG12  ILE   6          HG12      ILE   6  20.504  27.398  27.810
   36   HG13  ILE   6          HG13      ILE   6  21.577  28.429  28.751
   37   HG21  ILE   6          HG21      ILE   6  20.231  24.872  28.624
   38   HG22  ILE   6          HG22      ILE   6  21.602  24.902  27.493
   39   HG23  ILE   6          HG23      ILE   6  21.768  24.142  29.077
   40   HD11  ILE   6          HD11      ILE   6  22.114  28.449  26.357
   41   HD12  ILE   6          HD12      ILE   6  23.451  27.815  27.312
   42   HD13  ILE   6          HD13      ILE   6  22.404  26.704  26.378
   43    H    ALA   7           H        ALA   7  20.719  28.967  31.043
   44    HA   ALA   7           HA       ALA   7  23.183  29.974  31.881
   45    HB1  ALA   7           HB1      ALA   7  20.359  30.616  32.828
   46    HB2  ALA   7           HB2      ALA   7  21.783  31.648  33.111
   47    HB3  ALA   7           HB3      ALA   7  21.220  31.355  31.455
   48    H    SER   8           H        SER   8  20.822  28.071  33.826
   49    HA   SER   8           HA       SER   8  22.130  28.515  36.378
   50    HB2  SER   8           HB2      SER   8  19.807  27.746  36.138
   51    HB3  SER   8           HB3      SER   8  20.363  26.230  35.402
   52    HG   SER   8           HG       SER   8  20.984  25.489  37.264
   53    H    MET   9           H        MET   9  22.728  26.137  33.795
   54    HA   MET   9           HA       MET   9  24.423  24.350  35.297
   55    HB2  MET   9           HB2      MET   9  24.521  24.911  32.301
   56    HB3  MET   9           HB3      MET   9  25.104  23.482  33.150
   57    HG2  MET   9           HG2      MET   9  22.763  22.915  33.779
   58    HG3  MET   9           HG3      MET   9  22.200  24.335  32.888
   59    HE1  MET   9           HE1      MET   9  20.607  23.176  31.288
   60    HE2  MET   9           HE2      MET   9  20.951  21.644  30.460
   61    HE3  MET   9           HE3      MET   9  20.876  21.690  32.237
   62    H    ILE  10           H        ILE  10  25.004  27.383  33.549
   63    HA   ILE  10           HA       ILE  10  27.843  27.137  33.358
   64    HB   ILE  10           HB       ILE  10  26.488  29.827  33.506
   65   HG12  ILE  10          HG12      ILE  10  24.981  28.636  32.039
   66   HG13  ILE  10          HG13      ILE  10  25.939  29.782  31.136
   67   HG21  ILE  10          HG21      ILE  10  28.905  29.768  33.254
   68   HG22  ILE  10          HG22      ILE  10  28.797  28.668  31.881
   69   HG23  ILE  10          HG23      ILE  10  28.183  30.331  31.737
   70   HD11  ILE  10          HD11      ILE  10  26.401  26.773  31.207
   71   HD12  ILE  10          HD12      ILE  10  25.620  27.688  29.909
   72   HD13  ILE  10          HD13      ILE  10  27.339  27.940  30.241
   73    H    LYS  11           H        LYS  11  25.792  28.204  36.010
   74    HA   LYS  11           HA       LYS  11  28.148  29.038  37.633
   75    HB2  LYS  11           HB2      LYS  11  25.181  29.031  38.320
   76    HB3  LYS  11           HB3      LYS  11  26.478  29.626  39.340
   77    HG2  LYS  11           HG2      LYS  11  26.223  31.643  38.398
   78    HG3  LYS  11           HG3      LYS  11  26.964  30.975  36.942
   79    HD2  LYS  11           HD2      LYS  11  24.544  30.196  36.371
   80    HD3  LYS  11           HD3      LYS  11  24.028  31.357  37.590
   81    HE2  LYS  11           HE2      LYS  11  25.666  31.945  35.072
   82    HE3  LYS  11           HE3      LYS  11  23.959  32.336  35.333
   83    HZ1  LYS  11           HZ1      LYS  11  24.658  33.802  37.165
   84    HZ2  LYS  11           HZ2      LYS  11  26.240  33.503  36.840
   85    HZ3  LYS  11           HZ3      LYS  11  25.318  34.281  35.745
   86    H    GLY  12           H        GLY  12  26.639  26.153  36.882
   87    HA2  GLY  12           HA2      GLY  12  26.946  24.857  39.528
   88    HA3  GLY  12           HA3      GLY  12  26.199  24.190  38.072
   89    H    ASN  13           H        ASN  13  28.527  24.871  36.324
   90    HA   ASN  13           HA       ASN  13  30.539  22.895  37.343
   91    HB2  ASN  13           HB2      ASN  13  29.591  23.196  34.484
   92    HB3  ASN  13           HB3      ASN  13  30.607  21.937  35.113
   93   HD21  ASN  13          HD21      ASN  13  27.332  23.096  34.734
   94   HD22  ASN  13          HD22      ASN  13  26.571  21.587  35.236
   95    H    LYS  14           H        LYS  14  32.728  23.173  36.566
   96    HA   LYS  14           HA       LYS  14  33.421  25.988  36.519
   97    HB2  LYS  14           HB2      LYS  14  34.706  24.215  37.696
   98    HB3  LYS  14           HB3      LYS  14  35.295  23.616  36.146
   99    HG2  LYS  14           HG2      LYS  14  36.737  25.409  35.838
  100    HG3  LYS  14           HG3      LYS  14  35.641  26.558  36.597
  101    HD2  LYS  14           HD2      LYS  14  37.545  26.456  37.997
  102    HD3  LYS  14           HD3      LYS  14  36.223  25.652  38.835
  103    HE2  LYS  14           HE2      LYS  14  37.234  23.442  37.854
  104    HE3  LYS  14           HE3      LYS  14  38.674  24.440  37.530
  105    HZ1  LYS  14           HZ1      LYS  14  38.879  23.419  39.677
  106    HZ2  LYS  14           HZ2      LYS  14  38.602  25.027  39.953
  107    HZ3  LYS  14           HZ3      LYS  14  37.409  23.912  40.158
  108    H    VAL  15           H        VAL  15  33.598  23.491  33.996
  109    HA   VAL  15           HA       VAL  15  33.688  25.698  31.972
  110    HB   VAL  15           HB       VAL  15  35.023  22.992  31.612
  111   HG11  VAL  15          HG11      VAL  15  36.043  24.096  29.636
  112   HG12  VAL  15          HG12      VAL  15  34.286  24.008  29.507
  113   HG13  VAL  15          HG13      VAL  15  35.057  25.542  29.945
  114   HG21  VAL  15          HG21      VAL  15  36.354  24.138  33.244
  115   HG22  VAL  15          HG22      VAL  15  37.170  24.331  31.689
  116   HG23  VAL  15          HG23      VAL  15  36.232  25.676  32.368
  117    H    VAL  16           H        VAL  16  32.013  25.724  30.614
  118    HA   VAL  16           HA       VAL  16  30.381  23.236  30.232
  119    HB   VAL  16           HB       VAL  16  29.209  26.016  30.570
  120   HG11  VAL  16          HG11      VAL  16  27.073  24.668  30.716
  121   HG12  VAL  16          HG12      VAL  16  27.823  24.598  29.114
  122   HG13  VAL  16          HG13      VAL  16  27.985  23.231  30.245
  123   HG21  VAL  16          HG21      VAL  16  28.235  25.040  32.674
  124   HG22  VAL  16          HG22      VAL  16  29.227  23.593  32.408
  125   HG23  VAL  16          HG23      VAL  16  29.993  25.165  32.755
  126    H    VAL  17           H        VAL  17  29.955  22.713  28.154
  127    HA   VAL  17           HA       VAL  17  30.636  24.676  25.994
  128    HB   VAL  17           HB       VAL  17  31.504  21.776  26.333
  129   HG11  VAL  17          HG11      VAL  17  31.989  23.640  23.971
  130   HG12  VAL  17          HG12      VAL  17  32.724  22.034  24.209
  131   HG13  VAL  17          HG13      VAL  17  30.990  22.164  23.946
  132   HG21  VAL  17          HG21      VAL  17  33.036  24.406  26.191
  133   HG22  VAL  17          HG22      VAL  17  32.898  23.321  27.589
  134   HG23  VAL  17          HG23      VAL  17  33.785  22.796  26.157
  135    H    PHE  18           H        PHE  18  29.357  24.710  24.172
  136    HA   PHE  18           HA       PHE  18  27.118  22.708  24.017
  137    HB2  PHE  18           HB2      PHE  18  27.029  25.608  23.155
  138    HB3  PHE  18           HB3      PHE  18  25.739  24.433  23.014
  139    HD1  PHE  18           HD2      PHE  18  24.590  23.548  25.021
  140    HD2  PHE  18           HD1      PHE  18  27.482  26.728  25.271
  141    HE1  PHE  18           HE2      PHE  18  23.772  24.118  27.303
  142    HE2  PHE  18           HE1      PHE  18  26.601  27.353  27.513
  143    HZ   PHE  18           HZ       PHE  18  24.707  26.076  28.488
  144    H    SER  19           H        SER  19  26.935  21.581  22.195
  145    HA   SER  19           HA       SER  19  28.699  22.222  19.853
  146    HB2  SER  19           HB2      SER  19  28.542  19.583  21.350
  147    HB3  SER  19           HB3      SER  19  29.640  20.019  20.030
  148    HG   SER  19           HG       SER  19  30.846  20.415  21.719
  149    H    TRP  20           H        TRP  20  28.512  20.681  18.013
  150    HA   TRP  20           HA       TRP  20  25.763  19.499  17.689
  151    HB2  TRP  20           HB2      TRP  20  27.069  21.666  16.141
  152    HB3  TRP  20           HB3      TRP  20  26.463  20.353  15.166
  153    HD1  TRP  20           HD1      TRP  20  24.195  21.035  18.125
  154    HE1  TRP  20           HE1      TRP  20  22.020  22.102  17.242
  155    HE3  TRP  20           HE3      TRP  20  25.762  22.375  13.423
  156    HZ2  TRP  20           HZ2      TRP  20  21.079  23.291  14.832
  157    HZ3  TRP  20           HZ3      TRP  20  24.217  23.567  11.888
  158    HH2  TRP  20           HH2      TRP  20  21.867  24.017  12.567
  159    H    VAL  21           H        VAL  21  25.627  17.514  16.690
  160    HA   VAL  21           HA       VAL  21  28.180  16.097  16.452
  161    HB   VAL  21           HB       VAL  21  26.827  14.059  16.086
  162   HG11  VAL  21          HG11      VAL  21  26.377  13.732  18.406
  163   HG12  VAL  21          HG12      VAL  21  27.828  14.728  18.267
  164   HG13  VAL  21          HG13      VAL  21  26.272  15.475  18.704
  165   HG21  VAL  21          HG21      VAL  21  24.476  15.745  17.052
  166   HG22  VAL  21          HG22      VAL  21  24.642  15.061  15.422
  167   HG23  VAL  21          HG23      VAL  21  24.506  13.991  16.814
  168    H    THR  22           H        THR  22  28.277  15.652  12.894
  169    HA   THR  22           HA       THR  22  29.833  16.059  15.425
  170    HB   THR  22           HB       THR  22  31.642  14.779  14.252
  171    HG1  THR  22           HG1      THR  22  29.539  13.630  12.791
  172   HG21  THR  22          HG21      THR  22  29.108  13.264  15.009
  173   HG22  THR  22          HG22      THR  22  30.425  13.757  16.093
  174   HG23  THR  22          HG23      THR  22  30.727  12.551  14.833
  175    H    CYS  23           H        CYS  23  31.562  17.452  15.360
  176    HA   CYS  23           HA       CYS  23  31.722  19.154  12.901
  177    HB2  CYS  23           HB2      CYS  23  31.511  19.964  15.806
  178    HB3  CYS  23           HB3      CYS  23  32.058  21.046  14.512
  179    HG   CYS  23           HG       CYS  23  29.207  19.406  14.793
  180    HA   PRO  24           HA       PRO  24  36.013  18.000  13.386
  181    HB2  PRO  24           HB2      PRO  24  37.134  19.579  11.406
  182    HB3  PRO  24           HB3      PRO  24  36.292  18.025  11.143
  183    HG2  PRO  24           HG2      PRO  24  35.158  20.822  10.901
  184    HG3  PRO  24           HG3      PRO  24  34.976  19.448   9.766
  185    HD2  PRO  24           HD2      PRO  24  33.065  20.092  11.558
  186    HD3  PRO  24           HD3      PRO  24  33.434  18.376  11.203
  187    H    TYR  25           H        TYR  25  34.845  21.239  14.026
  188    HA   TYR  25           HA       TYR  25  37.257  21.868  15.601
  189    HB2  TYR  25           HB2      TYR  25  34.502  23.144  15.455
  190    HB3  TYR  25           HB3      TYR  25  35.777  23.720  16.493
  191    HD1  TYR  25           HD1      TYR  25  38.170  23.408  14.514
  192    HD2  TYR  25           HD2      TYR  25  34.251  25.210  14.215
  193    HE1  TYR  25           HE1      TYR  25  39.015  24.967  12.801
  194    HE2  TYR  25           HE2      TYR  25  35.119  26.784  12.505
  195    HH   TYR  25           HH       TYR  25  36.919  27.411  11.242
  196    H    CYS  26           H        CYS  26  33.887  20.753  16.562
  197    HA   CYS  26           HA       CYS  26  34.448  21.095  19.280
  198    HB2  CYS  26           HB2      CYS  26  32.242  20.732  18.270
  199    HB3  CYS  26           HB3      CYS  26  32.571  18.995  18.112
  200    HG   CYS  26           HG       CYS  26  33.269  18.672  20.680
  201    H    VAL  27           H        VAL  27  35.230  18.284  17.317
  202    HA   VAL  27           HA       VAL  27  36.198  16.408  19.139
  203    HB   VAL  27           HB       VAL  27  36.045  16.346  16.810
  204   HG11  VAL  27          HG11      VAL  27  37.355  16.900  15.137
  205   HG12  VAL  27          HG12      VAL  27  36.901  18.324  16.078
  206   HG13  VAL  27          HG13      VAL  27  38.565  17.626  16.215
  207   HG21  VAL  27          HG21      VAL  27  38.835  15.514  17.717
  208   HG22  VAL  27          HG22      VAL  27  37.355  14.580  18.038
  209   HG23  VAL  27          HG23      VAL  27  37.931  14.782  16.375
  210    H    ARG  28           H        ARG  28  37.863  18.783  17.581
  211    HA   ARG  28           HA       ARG  28  40.407  18.798  18.885
  212    HB2  ARG  28           HB2      ARG  28  39.192  21.475  18.058
  213    HB3  ARG  28           HB3      ARG  28  40.875  21.048  18.276
  214    HG2  ARG  28           HG2      ARG  28  40.505  19.321  16.387
  215    HG3  ARG  28           HG3      ARG  28  38.981  20.161  16.102
  216    HD2  ARG  28           HD2      ARG  28  40.648  21.047  14.568
  217    HD3  ARG  28           HD3      ARG  28  40.229  22.296  15.743
  218    HE   ARG  28           HE       ARG  28  42.683  20.558  15.879
  219   HH11  ARG  28          HH22      ARG  28  41.438  23.815  16.500
  220   HH12  ARG  28          HH21      ARG  28  42.703  24.047  17.714
  221   HH21  ARG  28          HH12      ARG  28  44.249  21.099  17.253
  222   HH22  ARG  28          HH11      ARG  28  44.226  22.667  18.043
  223    H    ALA  29           H        ALA  29  37.576  20.668  19.906
  224    HA   ALA  29           HA       ALA  29  38.837  21.746  22.289
  225    HB1  ALA  29           HB1      ALA  29  36.898  22.826  21.234
  226    HB2  ALA  29           HB2      ALA  29  35.880  21.421  21.622
  227    HB3  ALA  29           HB3      ALA  29  36.567  22.413  22.926
  228    H    GLU  30           H        GLU  30  36.504  18.976  21.896
  229    HA   GLU  30           HA       GLU  30  36.498  18.213  24.654
  230    HB2  GLU  30           HB2      GLU  30  36.080  16.565  22.112
  231    HB3  GLU  30           HB3      GLU  30  35.813  15.967  23.748
  232    HG2  GLU  30           HG2      GLU  30  34.154  17.888  24.071
  233    HG3  GLU  30           HG3      GLU  30  34.229  18.136  22.315
  234    H    LYS  31           H        LYS  31  38.762  17.352  22.136
  235    HA   LYS  31           HA       LYS  31  40.150  15.379  23.706
  236    HB2  LYS  31           HB2      LYS  31  40.272  15.295  21.328
  237    HB3  LYS  31           HB3      LYS  31  40.728  16.975  21.191
  238    HG2  LYS  31           HG2      LYS  31  42.696  15.263  22.655
  239    HG3  LYS  31           HG3      LYS  31  42.424  14.821  20.977
  240    HD2  LYS  31           HD2      LYS  31  43.329  17.571  21.934
  241    HD3  LYS  31           HD3      LYS  31  44.318  16.327  21.162
  242    HE2  LYS  31           HE2      LYS  31  42.685  16.457  19.167
  243    HE3  LYS  31           HE3      LYS  31  42.025  17.911  19.933
  244    HZ1  LYS  31           HZ1      LYS  31  43.767  18.344  18.254
  245    HZ2  LYS  31           HZ2      LYS  31  44.106  19.010  19.696
  246    HZ3  LYS  31           HZ3      LYS  31  44.880  17.616  19.206
  247    H    LEU  32           H        LEU  32  40.906  18.789  22.992
  248    HA   LEU  32           HA       LEU  32  43.264  18.990  24.594
  249    HB2  LEU  32           HB2      LEU  32  42.155  20.529  22.777
  250    HB3  LEU  32           HB3      LEU  32  41.266  21.177  24.148
  251    HG   LEU  32           HG       LEU  32  43.086  22.597  23.512
  252   HD11  LEU  32          HD11      LEU  32  42.616  22.453  25.956
  253   HD12  LEU  32          HD12      LEU  32  43.970  21.301  26.095
  254   HD13  LEU  32          HD13      LEU  32  44.269  22.958  25.557
  255   HD21  LEU  32          HD21      LEU  32  44.533  20.859  22.472
  256   HD22  LEU  32          HD22      LEU  32  45.417  21.974  23.527
  257   HD23  LEU  32          HD23      LEU  32  45.032  20.335  24.094
  258    H    LEU  33           H        LEU  33  39.847  19.737  25.376
  259    HA   LEU  33           HA       LEU  33  40.326  20.831  27.934
  260    HB2  LEU  33           HB2      LEU  33  37.891  19.441  26.716
  261    HB3  LEU  33           HB3      LEU  33  37.814  20.260  28.264
  262    HG   LEU  33           HG       LEU  33  38.624  21.619  25.677
  263   HD11  LEU  33          HD11      LEU  33  36.255  20.855  25.603
  264   HD12  LEU  33          HD12      LEU  33  35.947  21.963  26.969
  265   HD13  LEU  33          HD13      LEU  33  36.522  22.595  25.429
  266   HD21  LEU  33          HD21      LEU  33  38.089  23.718  26.916
  267   HD22  LEU  33          HD22      LEU  33  37.851  22.753  28.381
  268   HD23  LEU  33          HD23      LEU  33  39.457  22.841  27.604
  269    H    HIS  34           H        HIS  34  39.626  17.455  27.056
  270    HA   HIS  34           HA       HIS  34  39.800  16.460  29.783
  271    HB2  HIS  34           HB2      HIS  34  39.721  15.138  27.046
  272    HB3  HIS  34           HB3      HIS  34  39.823  14.249  28.562
  273    HD1  HIS  34           HD1      HIS  34  37.500  13.284  29.100
  274    HD2  HIS  34           HD2      HIS  34  37.376  17.134  27.409
  275    HE1  HIS  34           HE1      HIS  34  35.049  13.981  29.031
  276    H    ALA  35           H        ALA  35  42.161  16.931  27.094
  277    HA   ALA  35           HA       ALA  35  44.162  15.222  28.335
  278    HB1  ALA  35           HB1      ALA  35  44.394  17.358  26.171
  279    HB2  ALA  35           HB2      ALA  35  45.618  16.131  26.565
  280    HB3  ALA  35           HB3      ALA  35  44.048  15.633  25.913
  281    H    ARG  36           H        ARG  36  43.351  18.589  28.602
  282    HA   ARG  36           HA       ARG  36  45.699  19.198  30.345
  283    HB2  ARG  36           HB2      ARG  36  44.033  20.814  28.418
  284    HB3  ARG  36           HB3      ARG  36  45.035  21.572  29.630
  285    HG2  ARG  36           HG2      ARG  36  46.247  19.566  27.723
  286    HG3  ARG  36           HG3      ARG  36  46.110  21.277  27.304
  287    HD2  ARG  36           HD2      ARG  36  47.393  20.373  29.905
  288    HD3  ARG  36           HD3      ARG  36  48.311  20.520  28.393
  289    HE   ARG  36           HE       ARG  36  47.355  22.944  28.385
  290   HH11  ARG  36          HH12      ARG  36  48.388  21.382  31.406
  291   HH12  ARG  36          HH11      ARG  36  48.854  22.918  32.069
  292   HH21  ARG  36          HH22      ARG  36  47.806  24.676  29.269
  293   HH22  ARG  36          HH21      ARG  36  48.321  24.823  30.958
  294    H    THR  37           H        THR  37  43.065  18.154  31.060
  295    HA   THR  37           HA       THR  37  41.875  17.923  32.959
  296    HB   THR  37           HB       THR  37  43.264  19.916  34.583
  297    HG1  THR  37           HG1      THR  37  44.666  17.773  33.404
  298   HG21  THR  37          HG21      THR  37  42.978  16.879  34.876
  299   HG22  THR  37          HG22      THR  37  41.807  18.059  35.487
  300   HG23  THR  37          HG23      THR  37  43.438  18.016  36.160
  301    H    LYS  38           H        LYS  38  40.888  19.990  31.164
  302    HA   LYS  38           HA       LYS  38  39.770  22.067  32.966
  303    HB2  LYS  38           HB2      LYS  38  39.242  21.300  30.076
  304    HB3  LYS  38           HB3      LYS  38  38.152  22.300  31.021
  305    HG2  LYS  38           HG2      LYS  38  39.542  23.812  29.809
  306    HG3  LYS  38           HG3      LYS  38  40.056  23.904  31.469
  307    HD2  LYS  38           HD2      LYS  38  41.665  21.945  29.904
  308    HD3  LYS  38           HD3      LYS  38  41.662  23.553  29.184
  309    HE2  LYS  38           HE2      LYS  38  42.180  24.443  31.575
  310    HE3  LYS  38           HE3      LYS  38  42.519  22.758  31.966
  311    HZ1  LYS  38           HZ1      LYS  38  44.519  23.996  31.395
  312    HZ2  LYS  38           HZ2      LYS  38  44.300  22.697  30.527
  313    HZ3  LYS  38           HZ3      LYS  38  44.061  24.167  29.820
  314    H    ASP  39           H        ASP  39  38.520  21.363  34.497
  315    HA   ASP  39           HA       ASP  39  36.952  19.067  34.411
  316    HB2  ASP  39           HB2      ASP  39  37.787  20.438  36.413
  317    HB3  ASP  39           HB3      ASP  39  36.390  21.475  36.200
  318    H    ILE  40           H        ILE  40  35.571  18.749  32.873
  319    HA   ILE  40           HA       ILE  40  33.935  21.020  31.886
  320    HB   ILE  40           HB       ILE  40  36.085  20.547  30.792
  321   HG12  ILE  40          HG12      ILE  40  33.703  21.225  29.527
  322   HG13  ILE  40          HG13      ILE  40  35.347  21.549  29.046
  323   HG21  ILE  40          HG21      ILE  40  36.117  18.070  31.066
  324   HG22  ILE  40          HG22      ILE  40  34.897  17.920  29.811
  325   HG23  ILE  40          HG23      ILE  40  36.499  18.588  29.434
  326   HD11  ILE  40          HD11      ILE  40  35.420  19.601  27.593
  327   HD12  ILE  40          HD12      ILE  40  33.805  19.080  28.157
  328   HD13  ILE  40          HD13      ILE  40  33.991  20.569  27.220
  329    H    THR  41           H        THR  41  32.059  20.943  31.114
  330    HA   THR  41           HA       THR  41  30.512  18.381  30.882
  331    HB   THR  41           HB       THR  41  29.835  21.122  32.028
  332    HG1  THR  41           HG1      THR  41  30.901  19.816  33.445
  333   HG21  THR  41          HG21      THR  41  27.627  20.107  32.623
  334   HG22  THR  41          HG22      THR  41  27.990  18.759  31.516
  335   HG23  THR  41          HG23      THR  41  27.842  20.428  30.897
  336    H    VAL  42           H        VAL  42  30.025  18.074  28.691
  337    HA   VAL  42           HA       VAL  42  29.267  20.451  27.117
  338    HB   VAL  42           HB       VAL  42  30.926  19.788  25.913
  339   HG11  VAL  42          HG11      VAL  42  31.861  18.198  27.260
  340   HG12  VAL  42          HG12      VAL  42  30.684  16.938  26.752
  341   HG13  VAL  42          HG13      VAL  42  31.886  17.599  25.608
  342   HG21  VAL  42          HG21      VAL  42  29.061  19.491  24.353
  343   HG22  VAL  42          HG22      VAL  42  30.428  18.451  23.964
  344   HG23  VAL  42          HG23      VAL  42  29.011  17.753  24.766
  345    H    HIS  43           H        HIS  43  27.498  20.713  26.055
  346    HA   HIS  43           HA       HIS  43  25.399  18.586  26.078
  347    HB2  HIS  43           HB2      HIS  43  24.926  20.667  27.387
  348    HB3  HIS  43           HB3      HIS  43  25.081  21.590  25.919
  349    HD1  HIS  43           HD1      HIS  43  23.197  18.344  25.320
  350    HD2  HIS  43           HD2      HIS  43  22.427  22.283  26.605
  351    HE1  HIS  43           HE1      HIS  43  20.722  18.730  25.003
  352    H    TYR  44           H        TYR  44  25.459  17.579  24.123
  353    HA   TYR  44           HA       TYR  44  25.924  19.098  21.629
  354    HB2  TYR  44           HB2      TYR  44  25.627  16.194  22.333
  355    HB3  TYR  44           HB3      TYR  44  25.309  16.750  20.696
  356    HD1  TYR  44           HD1      TYR  44  26.969  17.733  19.283
  357    HD2  TYR  44           HD2      TYR  44  28.009  16.199  23.162
  358    HE1  TYR  44           HE1      TYR  44  29.356  17.532  18.558
  359    HE2  TYR  44           HE2      TYR  44  30.405  16.094  22.482
  360    HH   TYR  44           HH       TYR  44  31.927  16.336  20.713
  361    H    VAL  45           H        VAL  45  24.229  20.548  21.507
  362    HA   VAL  45           HA       VAL  45  21.528  19.906  22.141
  363    HB   VAL  45           HB       VAL  45  20.919  22.098  21.234
  364   HG11  VAL  45          HG11      VAL  45  23.362  22.182  23.032
  365   HG12  VAL  45          HG12      VAL  45  22.164  23.480  22.814
  366   HG13  VAL  45          HG13      VAL  45  21.658  21.965  23.537
  367   HG21  VAL  45          HG21      VAL  45  22.708  23.664  20.490
  368   HG22  VAL  45          HG22      VAL  45  23.874  22.337  20.473
  369   HG23  VAL  45          HG23      VAL  45  22.478  22.333  19.366
  370    H    ASP  46           H        ASP  46  22.930  18.608  19.552
  371    HA   ASP  46           HA       ASP  46  20.415  18.574  17.915
  372    HB2  ASP  46           HB2      ASP  46  22.495  19.198  16.746
  373    HB3  ASP  46           HB3      ASP  46  23.216  17.659  17.195
  374    H    LYS  47           H        LYS  47  22.182  16.711  20.237
  375    HA   LYS  47           HA       LYS  47  21.278  14.032  19.404
  376    HB2  LYS  47           HB2      LYS  47  22.664  15.025  21.884
  377    HB3  LYS  47           HB3      LYS  47  22.110  13.370  21.604
  378    HG2  LYS  47           HG2      LYS  47  23.441  13.682  19.277
  379    HG3  LYS  47           HG3      LYS  47  24.339  14.851  20.241
  380    HD2  LYS  47           HD2      LYS  47  23.856  11.918  20.792
  381    HD3  LYS  47           HD3      LYS  47  25.407  12.671  20.362
  382    HE2  LYS  47           HE2      LYS  47  25.147  14.060  22.515
  383    HE3  LYS  47           HE3      LYS  47  23.841  12.964  22.965
  384    HZ1  LYS  47           HZ1      LYS  47  26.666  12.186  22.510
  385    HZ2  LYS  47           HZ2      LYS  47  25.846  12.136  23.942
  386    HZ3  LYS  47           HZ3      LYS  47  25.446  11.115  22.720
  387    H    MET  48           H        MET  48  20.110  16.545  21.536
  388    HA   MET  48           HA       MET  48  17.950  14.780  22.587
  389    HB2  MET  48           HB2      MET  48  19.689  15.237  24.231
  390    HB3  MET  48           HB3      MET  48  19.481  16.979  24.026
  391    HG2  MET  48           HG2      MET  48  17.173  15.197  24.841
  392    HG3  MET  48           HG3      MET  48  18.348  15.733  26.034
  393    HE1  MET  48           HE1      MET  48  17.539  19.365  26.774
  394    HE2  MET  48           HE2      MET  48  17.906  17.792  27.510
  395    HE3  MET  48           HE3      MET  48  18.973  18.462  26.258
  396    H    SER  49           H        SER  49  15.906  15.456  22.416
  397    HA   SER  49           HA       SER  49  15.108  17.016  20.377
  398    HB2  SER  49           HB2      SER  49  13.408  16.693  22.875
  399    HB3  SER  49           HB3      SER  49  12.859  16.838  21.200
  400    HG   SER  49           HG       SER  49  12.787  14.720  21.926
  401    H    GLU  50           H        GLU  50  15.340  18.241  23.718
  402    HA   GLU  50           HA       GLU  50  14.005  20.730  23.160
  403    HB2  GLU  50           HB2      GLU  50  14.480  19.286  25.436
  404    HB3  GLU  50           HB3      GLU  50  15.804  20.446  25.551
  405    HG2  GLU  50           HG2      GLU  50  14.007  21.350  26.788
  406    HG3  GLU  50           HG3      GLU  50  14.051  22.291  25.297
  407    H    GLY  51           H        GLY  51  17.257  19.792  22.585
  408    HA2  GLY  51           HA2      GLY  51  18.869  21.893  23.256
  409    HA3  GLY  51           HA3      GLY  51  19.065  20.888  21.832
  410    H    GLU  52           H        GLU  52  16.486  22.019  20.634
  411    HA   GLU  52           HA       GLU  52  17.614  24.243  19.159
  412    HB2  GLU  52           HB2      GLU  52  14.733  23.343  19.568
  413    HB3  GLU  52           HB3      GLU  52  15.241  24.560  18.397
  414    HG2  GLU  52           HG2      GLU  52  16.257  21.680  18.363
  415    HG3  GLU  52           HG3      GLU  52  14.845  22.245  17.482
  416    H    GLN  53           H        GLN  53  15.633  24.088  22.127
  417    HA   GLN  53           HA       GLN  53  15.213  26.969  22.333
  418    HB2  GLN  53           HB2      GLN  53  15.116  24.773  24.456
  419    HB3  GLN  53           HB3      GLN  53  14.669  26.456  24.695
  420    HG2  GLN  53           HG2      GLN  53  12.906  26.153  22.871
  421    HG3  GLN  53           HG3      GLN  53  13.249  24.417  22.943
  422   HE21  GLN  53          HE21      GLN  53  11.928  23.257  24.456
  423   HE22  GLN  53          HE22      GLN  53  11.219  24.016  25.858
  424    H    LEU  54           H        LEU  54  17.661  24.661  23.604
  425    HA   LEU  54           HA       LEU  54  18.968  26.689  25.213
  426    HB2  LEU  54           HB2      LEU  54  20.004  23.941  24.396
  427    HB3  LEU  54           HB3      LEU  54  20.675  25.023  25.616
  428    HG   LEU  54           HG       LEU  54  19.568  23.493  26.915
  429   HD11  LEU  54          HD11      LEU  54  17.263  25.434  26.515
  430   HD12  LEU  54          HD12      LEU  54  17.753  24.590  27.997
  431   HD13  LEU  54          HD13      LEU  54  18.757  25.897  27.338
  432   HD21  LEU  54          HD21      LEU  54  17.359  22.580  26.630
  433   HD22  LEU  54          HD22      LEU  54  17.178  23.431  25.089
  434   HD23  LEU  54          HD23      LEU  54  18.433  22.175  25.301
  435    H    ARG  55           H        ARG  55  19.534  25.439  21.940
  436    HA   ARG  55           HA       ARG  55  21.840  26.963  21.220
  437    HB2  ARG  55           HB2      ARG  55  21.043  25.068  19.979
  438    HB3  ARG  55           HB3      ARG  55  19.412  25.714  19.872
  439    HG2  ARG  55           HG2      ARG  55  20.007  27.346  18.325
  440    HG3  ARG  55           HG3      ARG  55  21.755  26.980  18.448
  441    HD2  ARG  55           HD2      ARG  55  21.378  24.720  17.571
  442    HD3  ARG  55           HD3      ARG  55  19.633  24.961  17.575
  443    HE   ARG  55           HE       ARG  55  21.506  26.531  15.812
  444   HH11  ARG  55          HH12      ARG  55  18.574  24.456  15.858
  445   HH12  ARG  55          HH11      ARG  55  18.344  24.863  14.164
  446   HH21  ARG  55          HH22      ARG  55  21.020  26.847  13.796
  447   HH22  ARG  55          HH21      ARG  55  19.600  26.070  13.072
  448    H    GLY  56           H        GLY  56  18.341  27.737  21.220
  449    HA2  GLY  56           HA2      GLY  56  18.527  30.446  20.340
  450    HA3  GLY  56           HA3      GLY  56  17.254  29.752  21.349
  451    H    GLU  57           H        GLU  57  18.942  29.050  23.700
  452    HA   GLU  57           HA       GLU  57  18.927  31.665  24.920
  453    HB2  GLU  57           HB2      GLU  57  19.898  28.969  25.902
  454    HB3  GLU  57           HB3      GLU  57  20.002  30.436  26.867
  455    HG2  GLU  57           HG2      GLU  57  17.505  29.045  25.883
  456    HG3  GLU  57           HG3      GLU  57  18.056  29.285  27.531
  457    H    ILE  58           H        ILE  58  21.540  29.752  23.510
  458    HA   ILE  58           HA       ILE  58  23.659  31.557  24.364
  459    HB   ILE  58           HB       ILE  58  23.639  29.823  21.869
  460   HG12  ILE  58          HG12      ILE  58  24.803  28.905  24.531
  461   HG13  ILE  58          HG13      ILE  58  23.160  28.499  24.058
  462   HG21  ILE  58          HG21      ILE  58  26.078  29.897  22.080
  463   HG22  ILE  58          HG22      ILE  58  25.471  31.546  22.089
  464   HG23  ILE  58          HG23      ILE  58  25.957  30.789  23.615
  465   HD11  ILE  58          HD11      ILE  58  25.684  27.686  22.601
  466   HD12  ILE  58          HD12      ILE  58  24.483  26.663  23.417
  467   HD13  ILE  58          HD13      ILE  58  24.051  27.499  21.922
  468    H    TYR  59           H        TYR  59  21.710  31.217  21.331
  469    HA   TYR  59           HA       TYR  59  23.065  33.306  20.029
  470    HB2  TYR  59           HB2      TYR  59  21.576  31.400  19.092
  471    HB3  TYR  59           HB3      TYR  59  20.266  32.573  19.227
  472    HD1  TYR  59           HD2      TYR  59  20.515  34.814  17.984
  473    HD2  TYR  59           HD1      TYR  59  23.271  31.539  17.421
  474    HE1  TYR  59           HE2      TYR  59  21.452  35.939  15.975
  475    HE2  TYR  59           HE1      TYR  59  24.212  32.664  15.422
  476    HH   TYR  59           HH       TYR  59  23.034  35.900  14.364
  477    H    GLN  60           H        GLN  60  19.991  33.526  21.904
  478    HA   GLN  60           HA       GLN  60  19.490  36.237  21.175
  479    HB2  GLN  60           HB2      GLN  60  18.647  34.651  23.626
  480    HB3  GLN  60           HB3      GLN  60  18.069  36.282  23.283
  481    HG2  GLN  60           HG2      GLN  60  17.681  33.894  21.440
  482    HG3  GLN  60           HG3      GLN  60  16.487  34.500  22.572
  483   HE21  GLN  60          HE21      GLN  60  15.807  34.225  20.014
  484   HE22  GLN  60          HE22      GLN  60  15.601  35.791  19.222
  485    H    ALA  61           H        ALA  61  21.608  34.971  23.742
  486    HA   ALA  61           HA       ALA  61  22.053  37.663  24.865
  487    HB1  ALA  61           HB1      ALA  61  23.522  36.427  26.432
  488    HB2  ALA  61           HB2      ALA  61  21.877  35.770  26.370
  489    HB3  ALA  61           HB3      ALA  61  23.198  34.927  25.533
  490    H    TYR  62           H        TYR  62  23.928  35.289  22.927
  491    HA   TYR  62           HA       TYR  62  26.239  37.176  22.906
  492    HB2  TYR  62           HB2      TYR  62  26.255  34.171  22.529
  493    HB3  TYR  62           HB3      TYR  62  27.640  35.225  22.786
  494    HD1  TYR  62           HD2      TYR  62  27.608  36.648  25.035
  495    HD2  TYR  62           HD1      TYR  62  25.346  33.046  24.381
  496    HE1  TYR  62           HE2      TYR  62  27.294  36.383  27.496
  497    HE2  TYR  62           HE1      TYR  62  25.030  32.780  26.833
  498    HH   TYR  62           HH       TYR  62  25.406  33.704  28.918
  499    H    LYS  63           H        LYS  63  23.864  36.185  20.794
  500    HA   LYS  63           HA       LYS  63  23.594  35.914  18.596
  501    HB2  LYS  63           HB2      LYS  63  25.736  38.053  18.412
  502    HB3  LYS  63           HB3      LYS  63  24.600  37.649  17.131
  503    HG2  LYS  63           HG2      LYS  63  23.782  38.697  19.882
  504    HG3  LYS  63           HG3      LYS  63  24.078  39.719  18.494
  505    HD2  LYS  63           HD2      LYS  63  21.927  37.553  18.517
  506    HD3  LYS  63           HD3      LYS  63  21.669  39.238  18.986
  507    HE2  LYS  63           HE2      LYS  63  22.593  39.930  16.721
  508    HE3  LYS  63           HE3      LYS  63  22.540  38.232  16.245
  509    HZ1  LYS  63           HZ1      LYS  63  20.183  39.835  17.128
  510    HZ2  LYS  63           HZ2      LYS  63  20.555  39.435  15.564
  511    HZ3  LYS  63           HZ3      LYS  63  20.115  38.281  16.631
  512    H    HIS  64           H        HIS  64  25.190  33.986  19.681
  513    HA   HIS  64           HA       HIS  64  26.551  32.884  17.309
  514    HB2  HIS  64           HB2      HIS  64  27.699  33.053  20.157
  515    HB3  HIS  64           HB3      HIS  64  28.246  31.860  18.994
  516    HD1  HIS  64           HD1      HIS  64  28.360  35.702  19.430
  517    HD2  HIS  64           HD2      HIS  64  30.165  32.485  17.405
  518    HE1  HIS  64           HE1      HIS  64  30.508  36.620  18.382
  519    H    GLU  65           H        GLU  65  26.749  30.690  17.260
  520    HA   GLU  65           HA       GLU  65  24.313  29.529  18.550
  521    HB2  GLU  65           HB2      GLU  65  24.390  30.493  16.078
  522    HB3  GLU  65           HB3      GLU  65  25.154  29.042  15.694
  523    HG2  GLU  65           HG2      GLU  65  23.247  27.834  16.931
  524    HG3  GLU  65           HG3      GLU  65  22.500  29.444  17.041
  525    H    THR  66           H        THR  66  26.663  27.913  16.370
  526    HA   THR  66           HA       THR  66  27.823  26.577  18.739
  527    HB   THR  66           HB       THR  66  28.012  24.408  17.638
  528    HG1  THR  66           HG1      THR  66  25.991  25.199  15.837
  529   HG21  THR  66          HG21      THR  66  26.161  24.756  19.243
  530   HG22  THR  66          HG22      THR  66  25.773  23.567  17.987
  531   HG23  THR  66          HG23      THR  66  25.090  25.205  17.899
  532    H    VAL  67           H        VAL  67  29.919  26.102  18.549
  533    HA   VAL  67           HA       VAL  67  31.468  26.750  16.111
  534    HB   VAL  67           HB       VAL  67  31.633  28.265  18.723
  535   HG11  VAL  67          HG11      VAL  67  33.957  27.631  18.320
  536   HG12  VAL  67          HG12      VAL  67  33.810  28.077  16.603
  537   HG13  VAL  67          HG13      VAL  67  33.734  29.320  17.870
  538   HG21  VAL  67          HG21      VAL  67  30.234  29.272  17.000
  539   HG22  VAL  67          HG22      VAL  67  31.705  30.215  17.202
  540   HG23  VAL  67          HG23      VAL  67  31.549  29.126  15.812
  541    HA   PRO  68           HA       PRO  68  30.326  24.841  19.494
  542    HB2  PRO  68           HB2      PRO  68  31.379  23.891  21.776
  543    HB3  PRO  68           HB3      PRO  68  31.126  22.865  20.333
  544    HG2  PRO  68           HG2      PRO  68  33.695  24.280  21.151
  545    HG3  PRO  68           HG3      PRO  68  33.465  22.532  20.807
  546    HD2  PRO  68           HD2      PRO  68  34.314  24.191  18.864
  547    HD3  PRO  68           HD3      PRO  68  33.084  22.957  18.484
  548    H    ALA  69           H        ALA  69  29.621  25.910  21.493
  549    HA   ALA  69           HA       ALA  69  31.012  28.519  21.907
  550    HB1  ALA  69           HB1      ALA  69  28.605  28.581  21.328
  551    HB2  ALA  69           HB2      ALA  69  28.234  27.589  22.756
  552    HB3  ALA  69           HB3      ALA  69  28.900  29.218  22.958
  553    H    ILE  70           H        ILE  70  31.963  29.068  23.854
  554    HA   ILE  70           HA       ILE  70  32.233  26.855  25.851
  555    HB   ILE  70           HB       ILE  70  34.353  28.676  24.656
  556   HG12  ILE  70          HG12      ILE  70  34.340  25.653  24.386
  557   HG13  ILE  70          HG13      ILE  70  33.441  26.629  23.239
  558   HG21  ILE  70          HG21      ILE  70  34.911  28.186  26.985
  559   HG22  ILE  70          HG22      ILE  70  34.603  26.453  26.735
  560   HG23  ILE  70          HG23      ILE  70  35.974  27.255  25.943
  561   HD11  ILE  70          HD11      ILE  70  35.432  27.870  22.583
  562   HD12  ILE  70          HD12      ILE  70  36.413  26.957  23.747
  563   HD13  ILE  70          HD13      ILE  70  35.663  26.124  22.371
  564    H    PHE  71           H        PHE  71  32.018  27.351  27.916
  565    HA   PHE  71           HA       PHE  71  32.251  30.188  28.808
  566    HB2  PHE  71           HB2      PHE  71  30.155  28.147  29.610
  567    HB3  PHE  71           HB3      PHE  71  30.353  29.749  30.312
  568    HD1  PHE  71           HD2      PHE  71  29.319  27.875  27.278
  569    HD2  PHE  71           HD1      PHE  71  29.636  31.763  29.119
  570    HE1  PHE  71           HE2      PHE  71  27.904  28.858  25.476
  571    HE2  PHE  71           HE1      PHE  71  28.195  32.719  27.336
  572    HZ   PHE  71           HZ       PHE  71  27.333  31.254  25.514
  573    H    ILE  72           H        ILE  72  33.266  30.559  30.695
  574    HA   ILE  72           HA       ILE  72  33.972  28.264  32.468
  575    HB   ILE  72           HB       ILE  72  35.937  30.430  31.625
  576   HG12  ILE  72          HG12      ILE  72  35.883  27.444  30.996
  577   HG13  ILE  72          HG13      ILE  72  35.579  28.731  29.843
  578   HG21  ILE  72          HG21      ILE  72  37.540  29.146  33.042
  579   HG22  ILE  72          HG22      ILE  72  36.195  29.719  34.006
  580   HG23  ILE  72          HG23      ILE  72  36.245  28.022  33.496
  581   HD11  ILE  72          HD11      ILE  72  38.234  28.128  31.176
  582   HD12  ILE  72          HD12      ILE  72  37.794  27.936  29.474
  583   HD13  ILE  72          HD13      ILE  72  37.911  29.565  30.166
  584    H    ASN  73           H        ASN  73  33.025  28.629  34.309
  585    HA   ASN  73           HA       ASN  73  31.907  29.635  35.998
  586    HB2  ASN  73           HB2      ASN  73  34.371  31.400  36.041
  587    HB3  ASN  73           HB3      ASN  73  33.228  31.236  37.363
  588   HD21  ASN  73          HD21      ASN  73  32.826  28.609  37.457
  589   HD22  ASN  73          HD22      ASN  73  34.292  27.911  38.147
  590    H    GLY  74           H        GLY  74  30.836  30.495  33.609
  591    HA2  GLY  74           HA2      GLY  74  29.093  32.007  33.081
  592    HA3  GLY  74           HA3      GLY  74  29.588  33.040  34.404
  593    H    ASN  75           H        ASN  75  32.421  32.632  32.753
  594    HA   ASN  75           HA       ASN  75  32.094  35.122  31.179
  595    HB2  ASN  75           HB2      ASN  75  34.591  33.486  31.749
  596    HB3  ASN  75           HB3      ASN  75  34.528  35.114  31.101
  597   HD21  ASN  75          HD21      ASN  75  34.616  33.261  33.966
  598   HD22  ASN  75          HD22      ASN  75  34.590  34.675  35.037
  599    H    PHE  76           H        PHE  76  32.094  35.161  28.948
  600    HA   PHE  76           HA       PHE  76  31.938  32.591  27.504
  601    HB2  PHE  76           HB2      PHE  76  30.135  34.158  27.217
  602    HB3  PHE  76           HB3      PHE  76  31.247  35.456  26.818
  603    HD1  PHE  76           HD1      PHE  76  30.615  31.931  25.553
  604    HD2  PHE  76           HD2      PHE  76  31.236  36.091  24.579
  605    HE1  PHE  76           HE1      PHE  76  30.423  31.404  23.143
  606    HE2  PHE  76           HE2      PHE  76  31.038  35.554  22.170
  607    HZ   PHE  76           HZ       PHE  76  30.629  33.213  21.442
  608    H    ILE  77           H        ILE  77  33.260  31.853  25.967
  609    HA   ILE  77           HA       ILE  77  35.481  33.522  24.882
  610    HB   ILE  77           HB       ILE  77  35.732  30.599  25.719
  611   HG12  ILE  77          HG12      ILE  77  37.627  31.803  27.228
  612   HG13  ILE  77          HG13      ILE  77  36.478  33.130  27.184
  613   HG21  ILE  77          HG21      ILE  77  37.133  31.169  23.772
  614   HG22  ILE  77          HG22      ILE  77  37.806  32.560  24.653
  615   HG23  ILE  77          HG23      ILE  77  38.129  30.903  25.192
  616   HD11  ILE  77          HD11      ILE  77  34.736  31.550  28.134
  617   HD12  ILE  77          HD12      ILE  77  35.960  30.271  28.131
  618   HD13  ILE  77          HD13      ILE  77  36.165  31.695  29.169
  619    H    GLY  78           H        GLY  78  35.727  33.325  22.656
  620    HA2  GLY  78           HA2      GLY  78  34.121  31.168  21.281
  621    HA3  GLY  78           HA3      GLY  78  34.243  32.804  20.669
  622    H    GLY  79           H        GLY  79  35.434  29.764  20.444
  623    HA2  GLY  79           HA2      GLY  79  36.462  29.450  18.164
  624    HA3  GLY  79           HA3      GLY  79  37.712  30.559  18.715
  625    H    CYS  80           H        CYS  80  37.619  27.527  17.946
  626    HA   CYS  80           HA       CYS  80  38.598  26.178  20.339
  627    HB2  CYS  80           HB2      CYS  80  38.745  25.506  17.370
  628    HB3  CYS  80           HB3      CYS  80  39.447  24.490  18.648
  629    HG   CYS  80           HG       CYS  80  36.323  25.519  18.290
  630    H    SER  81           H        SER  81  40.243  27.878  17.638
  631    HA   SER  81           HA       SER  81  42.889  27.381  18.723
  632    HB2  SER  81           HB2      SER  81  42.020  29.507  16.747
  633    HB3  SER  81           HB3      SER  81  43.675  28.976  17.089
  634    HG   SER  81           HG       SER  81  41.554  27.573  15.852
  635    H    ASP  82           H        ASP  82  40.494  29.977  19.153
  636    HA   ASP  82           HA       ASP  82  42.007  31.729  20.788
  637    HB2  ASP  82           HB2      ASP  82  39.563  31.803  19.757
  638    HB3  ASP  82           HB3      ASP  82  39.046  31.190  21.300
  639    H    LEU  83           H        LEU  83  40.031  28.932  21.695
  640    HA   LEU  83           HA       LEU  83  40.503  28.924  24.518
  641    HB2  LEU  83           HB2      LEU  83  38.692  27.649  23.563
  642    HB3  LEU  83           HB3      LEU  83  39.773  26.786  22.488
  643    HG   LEU  83           HG       LEU  83  40.827  25.652  24.450
  644   HD11  LEU  83          HD11      LEU  83  38.504  26.896  25.986
  645   HD12  LEU  83          HD12      LEU  83  39.614  25.647  26.599
  646   HD13  LEU  83          HD13      LEU  83  40.226  27.263  26.226
  647   HD21  LEU  83          HD21      LEU  83  39.075  24.043  24.759
  648   HD22  LEU  83          HD22      LEU  83  37.834  25.208  24.244
  649   HD23  LEU  83          HD23      LEU  83  39.041  24.607  23.086
  650    H    GLU  84           H        GLU  84  42.239  27.158  21.881
  651    HA   GLU  84           HA       GLU  84  44.254  26.050  23.614
  652    HB2  GLU  84           HB2      GLU  84  44.295  26.693  20.638
  653    HB3  GLU  84           HB3      GLU  84  45.590  25.843  21.504
  654    HG2  GLU  84           HG2      GLU  84  44.119  24.046  22.131
  655    HG3  GLU  84           HG3      GLU  84  42.729  24.825  21.378
  656    H    ALA  85           H        ALA  85  44.033  29.249  22.022
  657    HA   ALA  85           HA       ALA  85  46.736  30.018  22.631
  658    HB1  ALA  85           HB1      ALA  85  45.417  31.108  20.876
  659    HB2  ALA  85           HB2      ALA  85  44.268  31.723  22.080
  660    HB3  ALA  85           HB3      ALA  85  45.947  32.295  22.081
  661    H    LEU  86           H        LEU  86  43.709  30.317  24.553
  662    HA   LEU  86           HA       LEU  86  44.891  31.847  26.711
  663    HB2  LEU  86           HB2      LEU  86  42.570  29.868  26.627
  664    HB3  LEU  86           HB3      LEU  86  43.033  30.762  28.066
  665    HG   LEU  86           HG       LEU  86  42.042  32.014  25.480
  666   HD11  LEU  86          HD11      LEU  86  40.317  30.788  26.744
  667   HD12  LEU  86          HD12      LEU  86  40.735  31.697  28.217
  668   HD13  LEU  86          HD13      LEU  86  40.042  32.532  26.806
  669   HD21  LEU  86          HD21      LEU  86  41.890  34.098  26.842
  670   HD22  LEU  86          HD22      LEU  86  42.750  33.280  28.169
  671   HD23  LEU  86          HD23      LEU  86  43.551  33.578  26.600
  672    H    ASP  87           H        ASP  87  44.828  28.400  25.933
  673    HA   ASP  87           HA       ASP  87  46.062  27.505  28.370
  674    HB2  ASP  87           HB2      ASP  87  44.658  26.204  26.644
  675    HB3  ASP  87           HB3      ASP  87  46.152  26.057  25.733
  676    H    LYS  88           H        LYS  88  47.421  28.397  25.178
  677    HA   LYS  88           HA       LYS  88  50.179  27.888  25.883
  678    HB2  LYS  88           HB2      LYS  88  49.282  29.982  23.869
  679    HB3  LYS  88           HB3      LYS  88  50.810  29.131  23.959
  680    HG2  LYS  88           HG2      LYS  88  48.239  28.299  22.748
  681    HG3  LYS  88           HG3      LYS  88  49.877  28.147  22.168
  682    HD2  LYS  88           HD2      LYS  88  50.266  26.235  23.709
  683    HD3  LYS  88           HD3      LYS  88  48.577  26.366  24.282
  684    HE2  LYS  88           HE2      LYS  88  47.711  25.996  22.055
  685    HE3  LYS  88           HE3      LYS  88  49.327  26.051  21.343
  686    HZ1  LYS  88           HZ1      LYS  88  49.887  24.017  22.388
  687    HZ2  LYS  88           HZ2      LYS  88  48.499  24.003  23.311
  688    HZ3  LYS  88           HZ3      LYS  88  48.428  23.791  21.669
  689    H    GLU  89           H        GLU  89  48.206  30.835  26.102
  690    HA   GLU  89           HA       GLU  89  50.411  32.477  27.078
  691    HB2  GLU  89           HB2      GLU  89  47.414  32.938  26.886
  692    HB3  GLU  89           HB3      GLU  89  48.559  34.178  27.371
  693    HG2  GLU  89           HG2      GLU  89  48.756  32.750  24.680
  694    HG3  GLU  89           HG3      GLU  89  47.802  34.200  24.937
  695    H    GLY  90           H        GLY  90  49.075  30.014  28.697
  696    HA2  GLY  90           HA2      GLY  90  49.307  29.423  30.924
  697    HA3  GLY  90           HA3      GLY  90  49.972  31.020  31.247
  698    H    LYS  91           H        LYS  91  46.892  31.415  29.819
  699    HA   LYS  91           HA       LYS  91  45.916  32.438  32.401
  700    HB2  LYS  91           HB2      LYS  91  45.208  32.846  29.463
  701    HB3  LYS  91           HB3      LYS  91  44.204  33.444  30.774
  702    HG2  LYS  91           HG2      LYS  91  46.247  34.597  31.735
  703    HG3  LYS  91           HG3      LYS  91  47.112  34.188  30.257
  704    HD2  LYS  91           HD2      LYS  91  44.545  35.830  30.327
  705    HD3  LYS  91           HD3      LYS  91  46.160  36.519  30.449
  706    HE2  LYS  91           HE2      LYS  91  46.746  35.593  28.221
  707    HE3  LYS  91           HE3      LYS  91  45.091  34.965  28.059
  708    HZ1  LYS  91           HZ1      LYS  91  45.778  37.835  28.449
  709    HZ2  LYS  91           HZ2      LYS  91  45.378  37.195  27.003
  710    HZ3  LYS  91           HZ3      LYS  91  44.275  37.247  28.219
  711    H    LEU  92           H        LEU  92  45.404  29.638  30.514
  712    HA   LEU  92           HA       LEU  92  42.722  29.131  31.629
  713    HB2  LEU  92           HB2      LEU  92  43.514  28.605  29.252
  714    HB3  LEU  92           HB3      LEU  92  44.504  27.329  29.939
  715    HG   LEU  92           HG       LEU  92  42.568  26.114  30.683
  716   HD11  LEU  92          HD11      LEU  92  40.903  28.457  29.695
  717   HD12  LEU  92          HD12      LEU  92  40.243  26.861  30.112
  718   HD13  LEU  92          HD13      LEU  92  41.004  27.836  31.363
  719   HD21  LEU  92          HD21      LEU  92  43.169  25.768  28.337
  720   HD22  LEU  92          HD22      LEU  92  41.406  25.729  28.474
  721   HD23  LEU  92          HD23      LEU  92  42.215  27.171  27.843
  722    H    ASP  93           H        ASP  93  46.054  28.198  32.228
  723    HA   ASP  93           HA       ASP  93  45.525  26.236  34.286
  724    HB2  ASP  93           HB2      ASP  93  47.834  28.109  33.649
  725    HB3  ASP  93           HB3      ASP  93  47.827  27.116  35.096
  726    H    GLY  94           H        GLY  94  45.862  29.831  34.434
  727    HA2  GLY  94           HA2      GLY  94  45.466  30.099  37.251
  728    HA3  GLY  94           HA3      GLY  94  45.119  31.333  36.033
  729    H    LEU  95           H        LEU  95  43.098  29.770  34.598
  730    HA   LEU  95           HA       LEU  95  40.766  30.227  36.239
  731    HB2  LEU  95           HB2      LEU  95  41.261  29.080  33.476
  732    HB3  LEU  95           HB3      LEU  95  39.649  29.118  34.181
  733    HG   LEU  95           HG       LEU  95  41.369  31.612  33.850
  734   HD11  LEU  95          HD11      LEU  95  40.882  30.625  31.645
  735   HD12  LEU  95          HD12      LEU  95  39.147  30.580  32.044
  736   HD13  LEU  95          HD13      LEU  95  39.994  32.133  31.892
  737   HD21  LEU  95          HD21      LEU  95  39.584  31.892  35.522
  738   HD22  LEU  95          HD22      LEU  95  39.205  32.800  34.063
  739   HD23  LEU  95          HD23      LEU  95  38.384  31.255  34.376
  740    H    LEU  96           H        LEU  96  42.690  27.339  35.607
  741    HA   LEU  96           HA       LEU  96  40.863  25.705  37.299
  742    HB2  LEU  96           HB2      LEU  96  43.554  25.057  36.032
  743    HB3  LEU  96           HB3      LEU  96  42.590  23.907  36.959
  744    HG   LEU  96           HG       LEU  96  41.797  25.164  34.304
  745   HD11  LEU  96          HD11      LEU  96  41.840  22.693  33.708
  746   HD12  LEU  96          HD12      LEU  96  43.431  23.416  34.067
  747   HD13  LEU  96          HD13      LEU  96  42.615  22.390  35.254
  748   HD21  LEU  96          HD21      LEU  96  39.758  24.901  35.646
  749   HD22  LEU  96          HD22      LEU  96  39.825  23.673  34.402
  750   HD23  LEU  96          HD23      LEU  96  40.240  23.233  36.078
  751    H    SER  97           H        SER  97  43.052  28.019  37.914
  752    HA   SER  97           HA       SER  97  44.185  28.806  39.726
  753    HB2  SER  97           HB2      SER  97  41.686  27.706  41.029
  754    HB3  SER  97           HB3      SER  97  42.756  28.936  41.727
  755    HG   SER  97           HG       SER  97  42.293  29.685  39.229
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  11.990  37.341  28.397
    2    H2   GLY   1           H2       GLY   1  12.675  36.977  26.951
    3    H3   GLY   1           H3       GLY   1  12.009  38.464  27.201
    4    HA2  GLY   1           HA2      GLY   1  14.362  38.691  27.286
    5    HA3  GLY   1           HA3      GLY   1  13.660  38.969  28.886
    6    H    ALA   2           H        ALA   2  15.850  38.457  29.634
    7    HA   ALA   2           HA       ALA   2  17.060  35.911  29.168
    8    HB1  ALA   2           HB1      ALA   2  18.696  36.697  30.848
    9    HB2  ALA   2           HB2      ALA   2  18.325  37.942  29.645
   10    HB3  ALA   2           HB3      ALA   2  17.615  38.041  31.271
   11    H    MET   3           H        MET   3  17.310  34.096  30.381
   12    HA   MET   3           HA       MET   3  15.729  33.657  32.857
   13    HB2  MET   3           HB2      MET   3  15.366  32.138  30.230
   14    HB3  MET   3           HB3      MET   3  14.730  31.612  31.784
   15    HG2  MET   3           HG2      MET   3  13.419  33.713  31.961
   16    HG3  MET   3           HG3      MET   3  13.943  34.138  30.325
   17    HE1  MET   3           HE1      MET   3  11.426  34.464  29.631
   18    HE2  MET   3           HE2      MET   3  10.160  33.235  29.857
   19    HE3  MET   3           HE3      MET   3  10.902  34.014  31.271
   20    HA   PRO   4           HA       PRO   4  19.187  31.167  33.865
   21    HB2  PRO   4           HB2      PRO   4  18.292  29.431  35.766
   22    HB3  PRO   4           HB3      PRO   4  18.328  31.204  35.994
   23    HG2  PRO   4           HG2      PRO   4  15.976  29.507  35.079
   24    HG3  PRO   4           HG3      PRO   4  16.019  30.708  36.416
   25    HD2  PRO   4           HD2      PRO   4  15.120  31.387  33.961
   26    HD3  PRO   4           HD3      PRO   4  16.136  32.517  34.904
   27    H    SER   5           H        SER   5  16.838  29.610  32.024
   28    HA   SER   5           HA       SER   5  16.938  27.090  31.643
   29    HB2  SER   5           HB2      SER   5  17.680  29.103  29.533
   30    HB3  SER   5           HB3      SER   5  17.404  27.419  29.119
   31    HG   SER   5           HG       SER   5  15.349  27.528  29.834
   32    H    ILE   6           H        ILE   6  19.735  28.378  29.939
   33    HA   ILE   6           HA       ILE   6  21.120  25.829  30.499
   34    HB   ILE   6           HB       ILE   6  22.667  26.265  28.887
   35   HG12  ILE   6          HG12      ILE   6  21.596  29.060  28.540
   36   HG13  ILE   6          HG13      ILE   6  23.211  28.617  29.055
   37   HG21  ILE   6          HG21      ILE   6  21.318  26.080  27.018
   38   HG22  ILE   6          HG22      ILE   6  20.303  25.545  28.370
   39   HG23  ILE   6          HG23      ILE   6  20.065  27.163  27.669
   40   HD11  ILE   6          HD11      ILE   6  22.011  28.075  26.286
   41   HD12  ILE   6          HD12      ILE   6  23.196  29.330  26.696
   42   HD13  ILE   6          HD13      ILE   6  23.630  27.612  26.799
   43    H    ALA   7           H        ALA   7  21.191  29.132  31.440
   44    HA   ALA   7           HA       ALA   7  23.866  29.495  32.262
   45    HB1  ALA   7           HB1      ALA   7  22.982  31.344  33.612
   46    HB2  ALA   7           HB2      ALA   7  22.217  31.298  32.014
   47    HB3  ALA   7           HB3      ALA   7  21.337  30.704  33.442
   48    H    SER   8           H        SER   8  21.142  28.187  34.107
   49    HA   SER   8           HA       SER   8  22.374  27.701  36.605
   50    HB2  SER   8           HB2      SER   8  20.534  26.051  36.881
   51    HB3  SER   8           HB3      SER   8  19.983  27.616  36.253
   52    HG   SER   8           HG       SER   8  19.615  26.773  34.310
   53    H    MET   9           H        MET   9  22.427  25.707  33.641
   54    HA   MET   9           HA       MET   9  23.917  23.503  34.823
   55    HB2  MET   9           HB2      MET   9  23.793  24.193  31.867
   56    HB3  MET   9           HB3      MET   9  24.140  22.644  32.626
   57    HG2  MET   9           HG2      MET   9  21.761  22.752  33.585
   58    HG3  MET   9           HG3      MET   9  21.469  24.072  32.457
   59    HE1  MET   9           HE1      MET   9  21.421  23.753  29.762
   60    HE2  MET   9           HE2      MET   9  23.107  23.171  29.832
   61    HE3  MET   9           HE3      MET   9  21.876  22.233  28.965
   62    H    ILE  10           H        ILE  10  24.809  26.496  33.078
   63    HA   ILE  10           HA       ILE  10  27.571  25.850  32.677
   64    HB   ILE  10           HB       ILE  10  26.654  28.687  32.876
   65   HG12  ILE  10          HG12      ILE  10  26.024  26.570  30.810
   66   HG13  ILE  10          HG13      ILE  10  25.032  27.881  31.477
   67   HG21  ILE  10          HG21      ILE  10  28.473  29.018  31.308
   68   HG22  ILE  10          HG22      ILE  10  29.137  28.037  32.607
   69   HG23  ILE  10          HG23      ILE  10  28.681  27.267  31.093
   70   HD11  ILE  10          HD11      ILE  10  27.224  28.113  29.460
   71   HD12  ILE  10          HD12      ILE  10  25.488  28.332  29.181
   72   HD13  ILE  10          HD13      ILE  10  26.370  29.507  30.194
   73    H    LYS  11           H        LYS  11  25.841  27.265  35.405
   74    HA   LYS  11           HA       LYS  11  28.320  27.894  36.902
   75    HB2  LYS  11           HB2      LYS  11  25.355  28.364  37.304
   76    HB3  LYS  11           HB3      LYS  11  26.390  28.298  38.719
   77    HG2  LYS  11           HG2      LYS  11  26.330  30.542  38.207
   78    HG3  LYS  11           HG3      LYS  11  27.905  30.010  37.648
   79    HD2  LYS  11           HD2      LYS  11  27.328  31.296  35.843
   80    HD3  LYS  11           HD3      LYS  11  26.568  29.806  35.303
   81    HE2  LYS  11           HE2      LYS  11  24.899  31.407  34.981
   82    HE3  LYS  11           HE3      LYS  11  24.430  30.678  36.525
   83    HZ1  LYS  11           HZ1      LYS  11  25.972  33.213  36.194
   84    HZ2  LYS  11           HZ2      LYS  11  24.392  33.148  36.546
   85    HZ3  LYS  11           HZ3      LYS  11  25.528  32.605  37.633
   86    H    GLY  12           H        GLY  12  26.642  25.077  36.341
   87    HA2  GLY  12           HA2      GLY  12  27.063  23.815  38.938
   88    HA3  GLY  12           HA3      GLY  12  26.454  23.057  37.468
   89    H    ASN  13           H        ASN  13  29.012  24.180  36.001
   90    HA   ASN  13           HA       ASN  13  31.038  22.314  37.133
   91    HB2  ASN  13           HB2      ASN  13  29.952  22.325  34.293
   92    HB3  ASN  13           HB3      ASN  13  31.493  21.585  34.723
   93   HD21  ASN  13          HD21      ASN  13  31.399  19.975  36.570
   94   HD22  ASN  13          HD22      ASN  13  30.004  18.894  36.568
   95    H    LYS  14           H        LYS  14  33.184  22.632  36.376
   96    HA   LYS  14           HA       LYS  14  33.963  25.414  36.355
   97    HB2  LYS  14           HB2      LYS  14  35.209  23.548  37.405
   98    HB3  LYS  14           HB3      LYS  14  35.563  22.881  35.810
   99    HG2  LYS  14           HG2      LYS  14  36.895  24.828  35.224
  100    HG3  LYS  14           HG3      LYS  14  36.457  25.647  36.733
  101    HD2  LYS  14           HD2      LYS  14  37.991  22.999  36.565
  102    HD3  LYS  14           HD3      LYS  14  38.761  24.583  36.661
  103    HE2  LYS  14           HE2      LYS  14  37.650  25.009  38.837
  104    HE3  LYS  14           HE3      LYS  14  36.933  23.388  38.781
  105    HZ1  LYS  14           HZ1      LYS  14  39.023  23.497  40.084
  106    HZ2  LYS  14           HZ2      LYS  14  39.134  22.431  38.854
  107    HZ3  LYS  14           HZ3      LYS  14  39.854  23.929  38.755
  108    H    VAL  15           H        VAL  15  33.961  22.962  33.742
  109    HA   VAL  15           HA       VAL  15  33.874  25.182  31.753
  110    HB   VAL  15           HB       VAL  15  35.441  22.620  31.342
  111   HG11  VAL  15          HG11      VAL  15  34.484  23.520  29.246
  112   HG12  VAL  15          HG12      VAL  15  35.160  25.120  29.620
  113   HG13  VAL  15          HG13      VAL  15  36.231  23.742  29.303
  114   HG21  VAL  15          HG21      VAL  15  36.707  23.997  32.863
  115   HG22  VAL  15          HG22      VAL  15  37.363  24.369  31.263
  116   HG23  VAL  15          HG23      VAL  15  36.242  25.490  32.019
  117    H    VAL  16           H        VAL  16  32.367  25.104  30.260
  118    HA   VAL  16           HA       VAL  16  30.759  22.618  29.929
  119    HB   VAL  16           HB       VAL  16  29.656  25.348  30.631
  120   HG11  VAL  16          HG11      VAL  16  28.192  24.411  28.918
  121   HG12  VAL  16          HG12      VAL  16  28.212  22.829  29.740
  122   HG13  VAL  16          HG13      VAL  16  27.420  24.237  30.498
  123   HG21  VAL  16          HG21      VAL  16  29.571  22.610  31.971
  124   HG22  VAL  16          HG22      VAL  16  30.315  24.097  32.605
  125   HG23  VAL  16          HG23      VAL  16  28.563  23.969  32.484
  126    H    VAL  17           H        VAL  17  30.250  22.151  27.882
  127    HA   VAL  17           HA       VAL  17  30.656  24.269  25.791
  128    HB   VAL  17           HB       VAL  17  31.639  21.396  25.797
  129   HG11  VAL  17          HG11      VAL  17  32.010  23.457  23.598
  130   HG12  VAL  17          HG12      VAL  17  32.650  21.786  23.652
  131   HG13  VAL  17          HG13      VAL  17  30.918  22.060  23.522
  132   HG21  VAL  17          HG21      VAL  17  33.868  22.480  25.566
  133   HG22  VAL  17          HG22      VAL  17  33.093  24.053  25.855
  134   HG23  VAL  17          HG23      VAL  17  33.089  22.801  27.115
  135    H    PHE  18           H        PHE  18  29.344  24.240  23.972
  136    HA   PHE  18           HA       PHE  18  27.056  22.283  23.914
  137    HB2  PHE  18           HB2      PHE  18  26.960  25.205  23.119
  138    HB3  PHE  18           HB3      PHE  18  25.655  24.045  23.000
  139    HD1  PHE  18           HD2      PHE  18  27.660  26.132  25.307
  140    HD2  PHE  18           HD1      PHE  18  24.344  23.398  24.974
  141    HE1  PHE  18           HE2      PHE  18  26.829  26.863  27.521
  142    HE2  PHE  18           HE1      PHE  18  23.512  24.142  27.195
  143    HZ   PHE  18           HZ       PHE  18  24.727  25.936  28.441
  144    H    SER  19           H        SER  19  27.046  21.099  22.127
  145    HA   SER  19           HA       SER  19  28.697  21.799  19.733
  146    HB2  SER  19           HB2      SER  19  28.970  19.435  21.619
  147    HB3  SER  19           HB3      SER  19  29.756  19.543  20.032
  148    HG   SER  19           HG       SER  19  31.199  20.249  21.468
  149    H    TRP  20           H        TRP  20  28.747  19.974  18.111
  150    HA   TRP  20           HA       TRP  20  26.197  18.384  18.073
  151    HB2  TRP  20           HB2      TRP  20  27.781  19.421  15.720
  152    HB3  TRP  20           HB3      TRP  20  26.386  18.357  15.628
  153    HD1  TRP  20           HD1      TRP  20  24.641  20.233  17.824
  154    HE1  TRP  20           HE1      TRP  20  23.381  22.177  16.724
  155    HE3  TRP  20           HE3      TRP  20  27.532  20.848  13.633
  156    HZ2  TRP  20           HZ2      TRP  20  23.764  23.985  14.510
  157    HZ3  TRP  20           HZ3      TRP  20  27.090  22.733  12.080
  158    HH2  TRP  20           HH2      TRP  20  25.214  24.302  12.506
  159    H    VAL  21           H        VAL  21  26.320  16.246  17.665
  160    HA   VAL  21           HA       VAL  21  28.943  14.941  17.379
  161    HB   VAL  21           HB       VAL  21  27.497  12.807  17.427
  162   HG11  VAL  21          HG11      VAL  21  27.987  14.571  19.855
  163   HG12  VAL  21          HG12      VAL  21  27.672  12.827  19.906
  164   HG13  VAL  21          HG13      VAL  21  29.138  13.433  19.121
  165   HG21  VAL  21          HG21      VAL  21  25.640  14.656  18.995
  166   HG22  VAL  21          HG22      VAL  21  25.261  14.012  17.380
  167   HG23  VAL  21          HG23      VAL  21  25.492  12.912  18.747
  168    H    THR  22           H        THR  22  28.540  14.015  13.924
  169    HA   THR  22           HA       THR  22  30.412  14.622  16.176
  170    HB   THR  22           HB       THR  22  32.126  13.524  15.069
  171    HG1  THR  22           HG1      THR  22  30.379  12.723  13.012
  172   HG21  THR  22          HG21      THR  22  29.688  11.702  14.981
  173   HG22  THR  22          HG22      THR  22  30.678  12.064  16.411
  174   HG23  THR  22          HG23      THR  22  31.389  11.200  15.040
  175    H    CYS  23           H        CYS  23  31.897  16.231  15.976
  176    HA   CYS  23           HA       CYS  23  31.774  17.938  13.530
  177    HB2  CYS  23           HB2      CYS  23  30.340  18.936  15.211
  178    HB3  CYS  23           HB3      CYS  23  31.591  18.763  16.445
  179    HG   CYS  23           HG       CYS  23  31.462  20.669  13.736
  180    HA   PRO  24           HA       PRO  24  36.144  17.173  13.863
  181    HB2  PRO  24           HB2      PRO  24  37.140  18.852  11.936
  182    HB3  PRO  24           HB3      PRO  24  36.209  17.368  11.574
  183    HG2  PRO  24           HG2      PRO  24  35.153  20.214  11.780
  184    HG3  PRO  24           HG3      PRO  24  34.921  19.053  10.433
  185    HD2  PRO  24           HD2      PRO  24  33.042  19.339  12.341
  186    HD3  PRO  24           HD3      PRO  24  33.454  17.705  11.740
  187    H    TYR  25           H        TYR  25  34.807  20.310  14.615
  188    HA   TYR  25           HA       TYR  25  37.280  21.084  16.052
  189    HB2  TYR  25           HB2      TYR  25  34.517  22.353  15.807
  190    HB3  TYR  25           HB3      TYR  25  35.736  22.942  16.919
  191    HD1  TYR  25           HD1      TYR  25  38.131  23.384  15.972
  192    HD2  TYR  25           HD2      TYR  25  34.529  23.426  13.599
  193    HE1  TYR  25           HE1      TYR  25  39.223  24.928  14.354
  194    HE2  TYR  25           HE2      TYR  25  35.635  24.952  11.968
  195    HH   TYR  25           HH       TYR  25  37.571  26.081  11.416
  196    H    CYS  26           H        CYS  26  34.134  19.636  16.875
  197    HA   CYS  26           HA       CYS  26  34.473  20.143  19.673
  198    HB2  CYS  26           HB2      CYS  26  32.369  19.773  18.566
  199    HB3  CYS  26           HB3      CYS  26  32.721  18.063  18.294
  200    HG   CYS  26           HG       CYS  26  32.699  17.252  20.671
  201    H    VAL  27           H        VAL  27  35.359  17.322  17.641
  202    HA   VAL  27           HA       VAL  27  36.379  15.510  19.475
  203    HB   VAL  27           HB       VAL  27  36.358  15.320  17.179
  204   HG11  VAL  27          HG11      VAL  27  38.760  16.795  16.524
  205   HG12  VAL  27          HG12      VAL  27  37.597  15.960  15.492
  206   HG13  VAL  27          HG13      VAL  27  37.055  17.376  16.410
  207   HG21  VAL  27          HG21      VAL  27  39.209  14.865  18.183
  208   HG22  VAL  27          HG22      VAL  27  37.841  13.772  18.515
  209   HG23  VAL  27          HG23      VAL  27  38.440  13.963  16.860
  210    H    ARG  28           H        ARG  28  38.064  17.865  17.871
  211    HA   ARG  28           HA       ARG  28  40.488  17.703  19.412
  212    HB2  ARG  28           HB2      ARG  28  41.463  19.558  18.308
  213    HB3  ARG  28           HB3      ARG  28  40.667  18.487  17.151
  214    HG2  ARG  28           HG2      ARG  28  38.854  20.001  16.866
  215    HG3  ARG  28           HG3      ARG  28  39.321  20.943  18.282
  216    HD2  ARG  28           HD2      ARG  28  40.006  22.274  16.463
  217    HD3  ARG  28           HD3      ARG  28  41.492  21.518  17.038
  218    HE   ARG  28           HE       ARG  28  40.321  19.883  14.981
  219   HH11  ARG  28          HH22      ARG  28  42.033  22.974  15.231
  220   HH12  ARG  28          HH21      ARG  28  42.529  22.891  13.558
  221   HH21  ARG  28          HH12      ARG  28  41.053  19.806  13.004
  222   HH22  ARG  28          HH11      ARG  28  42.093  21.062  12.351
  223    H    ALA  29           H        ALA  29  37.832  19.941  19.912
  224    HA   ALA  29           HA       ALA  29  39.049  21.264  22.157
  225    HB1  ALA  29           HB1      ALA  29  36.104  20.799  21.493
  226    HB2  ALA  29           HB2      ALA  29  36.741  21.971  22.667
  227    HB3  ALA  29           HB3      ALA  29  37.093  22.165  20.938
  228    H    GLU  30           H        GLU  30  36.752  18.396  22.075
  229    HA   GLU  30           HA       GLU  30  36.756  17.908  24.886
  230    HB2  GLU  30           HB2      GLU  30  36.566  15.998  22.512
  231    HB3  GLU  30           HB3      GLU  30  36.410  15.498  24.184
  232    HG2  GLU  30           HG2      GLU  30  34.430  17.094  24.393
  233    HG3  GLU  30           HG3      GLU  30  34.445  17.251  22.634
  234    H    LYS  31           H        LYS  31  39.075  16.798  22.471
  235    HA   LYS  31           HA       LYS  31  40.569  15.170  24.197
  236    HB2  LYS  31           HB2      LYS  31  40.732  15.044  21.756
  237    HB3  LYS  31           HB3      LYS  31  41.145  16.740  21.647
  238    HG2  LYS  31           HG2      LYS  31  43.385  16.244  22.686
  239    HG3  LYS  31           HG3      LYS  31  42.942  14.529  22.704
  240    HD2  LYS  31           HD2      LYS  31  44.316  15.003  20.753
  241    HD3  LYS  31           HD3      LYS  31  42.670  14.602  20.223
  242    HE2  LYS  31           HE2      LYS  31  42.145  16.942  19.853
  243    HE3  LYS  31           HE3      LYS  31  43.684  17.476  20.561
  244    HZ1  LYS  31           HZ1      LYS  31  43.236  16.048  18.005
  245    HZ2  LYS  31           HZ2      LYS  31  43.930  17.517  18.229
  246    HZ3  LYS  31           HZ3      LYS  31  44.736  16.152  18.662
  247    H    LEU  32           H        LEU  32  41.154  18.521  23.247
  248    HA   LEU  32           HA       LEU  32  43.493  19.009  24.830
  249    HB2  LEU  32           HB2      LEU  32  42.846  20.092  22.738
  250    HB3  LEU  32           HB3      LEU  32  41.383  20.695  23.505
  251    HG   LEU  32           HG       LEU  32  42.479  22.374  24.689
  252   HD11  LEU  32          HD11      LEU  32  44.941  22.665  24.802
  253   HD12  LEU  32          HD12      LEU  32  44.402  21.230  25.675
  254   HD13  LEU  32          HD13      LEU  32  45.152  21.056  24.077
  255   HD21  LEU  32          HD21      LEU  32  43.943  21.988  22.044
  256   HD22  LEU  32          HD22      LEU  32  42.333  22.702  22.240
  257   HD23  LEU  32          HD23      LEU  32  43.750  23.529  22.928
  258    H    LEU  33           H        LEU  33  40.006  19.537  25.421
  259    HA   LEU  33           HA       LEU  33  40.357  21.087  27.801
  260    HB2  LEU  33           HB2      LEU  33  38.055  19.311  26.853
  261    HB3  LEU  33           HB3      LEU  33  37.942  20.339  28.274
  262    HG   LEU  33           HG       LEU  33  38.498  21.395  25.483
  263   HD11  LEU  33          HD11      LEU  33  36.308  22.119  25.212
  264   HD12  LEU  33          HD12      LEU  33  36.233  20.401  25.605
  265   HD13  LEU  33          HD13      LEU  33  35.855  21.634  26.847
  266   HD21  LEU  33          HD21      LEU  33  38.000  22.792  28.066
  267   HD22  LEU  33          HD22      LEU  33  39.299  22.976  26.835
  268   HD23  LEU  33          HD23      LEU  33  37.678  23.561  26.494
  269    H    HIS  34           H        HIS  34  39.954  17.535  27.342
  270    HA   HIS  34           HA       HIS  34  40.514  16.952  30.118
  271    HB2  HIS  34           HB2      HIS  34  40.387  15.382  27.544
  272    HB3  HIS  34           HB3      HIS  34  41.059  14.643  29.002
  273    HD1  HIS  34           HD1      HIS  34  39.383  14.338  31.117
  274    HD2  HIS  34           HD2      HIS  34  37.706  15.681  27.489
  275    HE1  HIS  34           HE1      HIS  34  36.860  13.966  31.293
  276    H    ALA  35           H        ALA  35  42.759  17.370  27.301
  277    HA   ALA  35           HA       ALA  35  44.953  16.063  28.563
  278    HB1  ALA  35           HB1      ALA  35  46.309  17.212  26.866
  279    HB2  ALA  35           HB2      ALA  35  44.811  16.591  26.150
  280    HB3  ALA  35           HB3      ALA  35  44.976  18.326  26.515
  281    H    ARG  36           H        ARG  36  43.876  19.367  28.808
  282    HA   ARG  36           HA       ARG  36  46.029  20.164  30.708
  283    HB2  ARG  36           HB2      ARG  36  44.533  21.437  28.467
  284    HB3  ARG  36           HB3      ARG  36  45.019  22.494  29.792
  285    HG2  ARG  36           HG2      ARG  36  46.980  20.600  28.437
  286    HG3  ARG  36           HG3      ARG  36  46.639  22.194  27.758
  287    HD2  ARG  36           HD2      ARG  36  47.347  21.921  30.677
  288    HD3  ARG  36           HD3      ARG  36  48.630  21.868  29.456
  289    HE   ARG  36           HE       ARG  36  47.416  24.083  28.622
  290   HH11  ARG  36          HH12      ARG  36  48.218  23.392  31.989
  291   HH12  ARG  36          HH11      ARG  36  48.155  25.095  32.398
  292   HH21  ARG  36          HH22      ARG  36  47.667  26.131  29.172
  293   HH22  ARG  36          HH21      ARG  36  47.811  26.591  30.878
  294    H    THR  37           H        THR  37  43.356  18.918  31.142
  295    HA   THR  37           HA       THR  37  42.038  18.620  32.978
  296    HB   THR  37           HB       THR  37  43.414  20.635  34.625
  297    HG1  THR  37           HG1      THR  37  44.657  18.289  33.614
  298   HG21  THR  37          HG21      THR  37  41.828  18.973  35.614
  299   HG22  THR  37          HG22      THR  37  43.463  18.824  36.286
  300   HG23  THR  37          HG23      THR  37  42.902  17.672  35.057
  301    H    LYS  38           H        LYS  38  41.137  20.543  31.144
  302    HA   LYS  38           HA       LYS  38  39.644  22.556  32.774
  303    HB2  LYS  38           HB2      LYS  38  39.678  21.703  29.857
  304    HB3  LYS  38           HB3      LYS  38  38.340  22.579  30.555
  305    HG2  LYS  38           HG2      LYS  38  39.575  24.557  30.671
  306    HG3  LYS  38           HG3      LYS  38  40.996  23.726  31.279
  307    HD2  LYS  38           HD2      LYS  38  40.263  23.929  28.370
  308    HD3  LYS  38           HD3      LYS  38  41.412  24.933  29.190
  309    HE2  LYS  38           HE2      LYS  38  42.798  22.944  29.774
  310    HE3  LYS  38           HE3      LYS  38  41.657  21.905  28.935
  311    HZ1  LYS  38           HZ1      LYS  38  43.607  23.792  27.775
  312    HZ2  LYS  38           HZ2      LYS  38  43.236  22.272  27.334
  313    HZ3  LYS  38           HZ3      LYS  38  42.222  23.495  26.932
  314    H    ASP  39           H        ASP  39  38.525  21.448  34.232
  315    HA   ASP  39           HA       ASP  39  37.340  19.031  33.721
  316    HB2  ASP  39           HB2      ASP  39  38.039  19.887  35.961
  317    HB3  ASP  39           HB3      ASP  39  36.604  20.900  36.004
  318    H    ILE  40           H        ILE  40  35.826  18.494  32.616
  319    HA   ILE  40           HA       ILE  40  34.002  20.569  31.597
  320    HB   ILE  40           HB       ILE  40  36.074  20.147  30.461
  321   HG12  ILE  40          HG12      ILE  40  33.558  20.513  29.242
  322   HG13  ILE  40          HG13      ILE  40  35.139  21.091  28.798
  323   HG21  ILE  40          HG21      ILE  40  36.573  18.139  29.204
  324   HG22  ILE  40          HG22      ILE  40  36.322  17.725  30.886
  325   HG23  ILE  40          HG23      ILE  40  35.044  17.387  29.715
  326   HD11  ILE  40          HD11      ILE  40  35.543  19.088  27.420
  327   HD12  ILE  40          HD12      ILE  40  33.952  18.431  27.895
  328   HD13  ILE  40          HD13      ILE  40  34.051  19.921  26.938
  329    H    THR  41           H        THR  41  32.031  20.331  30.901
  330    HA   THR  41           HA       THR  41  30.854  17.638  30.349
  331    HB   THR  41           HB       THR  41  29.937  19.622  32.294
  332    HG1  THR  41           HG1      THR  41  30.031  17.478  32.804
  333   HG21  THR  41          HG21      THR  41  27.520  19.447  31.848
  334   HG22  THR  41          HG22      THR  41  27.855  18.785  30.236
  335   HG23  THR  41          HG23      THR  41  28.349  20.442  30.653
  336    H    VAL  42           H        VAL  42  29.999  17.478  28.294
  337    HA   VAL  42           HA       VAL  42  29.305  20.006  26.921
  338    HB   VAL  42           HB       VAL  42  31.213  19.496  25.925
  339   HG11  VAL  42          HG11      VAL  42  31.847  17.489  26.702
  340   HG12  VAL  42          HG12      VAL  42  30.651  16.618  25.670
  341   HG13  VAL  42          HG13      VAL  42  32.019  17.539  24.958
  342   HG21  VAL  42          HG21      VAL  42  29.463  19.982  24.246
  343   HG22  VAL  42          HG22      VAL  42  30.769  18.980  23.598
  344   HG23  VAL  42          HG23      VAL  42  29.224  18.230  24.035
  345    H    HIS  43           H        HIS  43  27.655  20.265  25.766
  346    HA   HIS  43           HA       HIS  43  25.368  18.402  26.077
  347    HB2  HIS  43           HB2      HIS  43  25.685  21.402  25.646
  348    HB3  HIS  43           HB3      HIS  43  24.144  20.609  25.756
  349    HD1  HIS  43           HD1      HIS  43  26.545  22.380  27.833
  350    HD2  HIS  43           HD2      HIS  43  23.854  19.193  28.346
  351    HE1  HIS  43           HE1      HIS  43  26.102  22.190  30.358
  352    H    TYR  44           H        TYR  44  24.313  17.588  24.272
  353    HA   TYR  44           HA       TYR  44  25.097  18.663  21.601
  354    HB2  TYR  44           HB2      TYR  44  24.008  15.941  22.278
  355    HB3  TYR  44           HB3      TYR  44  24.486  16.511  20.680
  356    HD1  TYR  44           HD2      TYR  44  27.077  17.931  21.293
  357    HD2  TYR  44           HD1      TYR  44  25.502  14.150  22.670
  358    HE1  TYR  44           HE2      TYR  44  29.388  17.147  21.802
  359    HE2  TYR  44           HE1      TYR  44  27.806  13.402  23.201
  360    HH   TYR  44           HH       TYR  44  30.018  14.110  23.484
  361    H    VAL  45           H        VAL  45  23.767  20.295  21.182
  362    HA   VAL  45           HA       VAL  45  20.888  20.164  21.536
  363    HB   VAL  45           HB       VAL  45  20.784  22.240  20.286
  364   HG11  VAL  45          HG11      VAL  45  22.083  23.625  21.796
  365   HG12  VAL  45          HG12      VAL  45  21.458  22.245  22.707
  366   HG13  VAL  45          HG13      VAL  45  23.165  22.273  22.184
  367   HG21  VAL  45          HG21      VAL  45  22.825  23.346  19.438
  368   HG22  VAL  45          HG22      VAL  45  23.789  21.906  19.803
  369   HG23  VAL  45          HG23      VAL  45  22.509  21.840  18.572
  370    H    ASP  46           H        ASP  46  22.905  18.841  19.152
  371    HA   ASP  46           HA       ASP  46  21.000  18.483  17.004
  372    HB2  ASP  46           HB2      ASP  46  23.506  18.281  16.873
  373    HB3  ASP  46           HB3      ASP  46  23.422  16.834  17.872
  374    H    LYS  47           H        LYS  47  21.328  17.061  20.154
  375    HA   LYS  47           HA       LYS  47  19.678  14.657  19.481
  376    HB2  LYS  47           HB2      LYS  47  21.518  15.161  21.855
  377    HB3  LYS  47           HB3      LYS  47  20.716  13.651  21.462
  378    HG2  LYS  47           HG2      LYS  47  22.851  14.997  19.737
  379    HG3  LYS  47           HG3      LYS  47  23.155  13.712  20.879
  380    HD2  LYS  47           HD2      LYS  47  21.301  13.421  18.473
  381    HD3  LYS  47           HD3      LYS  47  23.012  13.000  18.493
  382    HE2  LYS  47           HE2      LYS  47  22.591  11.454  20.417
  383    HE3  LYS  47           HE3      LYS  47  20.851  11.757  20.254
  384    HZ1  LYS  47           HZ1      LYS  47  21.586   9.753  19.044
  385    HZ2  LYS  47           HZ2      LYS  47  20.971  10.881  17.989
  386    HZ3  LYS  47           HZ3      LYS  47  22.581  10.674  18.100
  387    H    MET  48           H        MET  48  19.873  17.421  21.661
  388    HA   MET  48           HA       MET  48  17.437  16.695  23.131
  389    HB2  MET  48           HB2      MET  48  19.166  19.197  23.075
  390    HB3  MET  48           HB3      MET  48  17.719  19.024  24.073
  391    HG2  MET  48           HG2      MET  48  18.679  17.091  25.215
  392    HG3  MET  48           HG3      MET  48  20.156  17.211  24.254
  393    HE1  MET  48           HE1      MET  48  22.122  18.765  24.771
  394    HE2  MET  48           HE2      MET  48  21.091  20.038  24.073
  395    HE3  MET  48           HE3      MET  48  21.941  20.327  25.606
  396    H    SER  49           H        SER  49  15.410  17.216  22.660
  397    HA   SER  49           HA       SER  49  14.519  18.673  20.327
  398    HB2  SER  49           HB2      SER  49  13.263  16.905  21.585
  399    HB3  SER  49           HB3      SER  49  13.096  18.042  22.947
  400    HG   SER  49           HG       SER  49  11.718  19.230  21.817
  401    H    GLU  50           H        GLU  50  15.032  19.513  23.714
  402    HA   GLU  50           HA       GLU  50  14.237  22.280  23.553
  403    HB2  GLU  50           HB2      GLU  50  15.938  20.650  25.470
  404    HB3  GLU  50           HB3      GLU  50  15.529  22.337  25.796
  405    HG2  GLU  50           HG2      GLU  50  13.546  20.008  25.469
  406    HG3  GLU  50           HG3      GLU  50  14.091  20.663  26.998
  407    H    GLY  51           H        GLY  51  16.986  20.790  22.229
  408    HA2  GLY  51           HA2      GLY  51  19.146  22.440  22.804
  409    HA3  GLY  51           HA3      GLY  51  18.863  21.579  21.289
  410    H    GLU  52           H        GLU  52  16.417  23.234  20.599
  411    HA   GLU  52           HA       GLU  52  17.678  25.446  19.312
  412    HB2  GLU  52           HB2      GLU  52  15.681  23.750  18.761
  413    HB3  GLU  52           HB3      GLU  52  14.713  24.933  19.647
  414    HG2  GLU  52           HG2      GLU  52  15.503  26.652  18.181
  415    HG3  GLU  52           HG3      GLU  52  16.549  25.521  17.302
  416    H    GLN  53           H        GLN  53  15.666  25.067  22.250
  417    HA   GLN  53           HA       GLN  53  15.386  27.931  22.749
  418    HB2  GLN  53           HB2      GLN  53  13.816  26.108  23.504
  419    HB3  GLN  53           HB3      GLN  53  15.046  25.564  24.643
  420    HG2  GLN  53           HG2      GLN  53  14.916  27.662  25.875
  421    HG3  GLN  53           HG3      GLN  53  13.900  28.392  24.623
  422   HE21  GLN  53          HE21      GLN  53  13.901  25.654  27.041
  423   HE22  GLN  53          HE22      GLN  53  12.155  25.607  27.104
  424    H    LEU  54           H        LEU  54  17.632  25.333  23.730
  425    HA   LEU  54           HA       LEU  54  19.275  26.989  25.449
  426    HB2  LEU  54           HB2      LEU  54  19.965  24.479  23.884
  427    HB3  LEU  54           HB3      LEU  54  21.012  25.226  25.042
  428    HG   LEU  54           HG       LEU  54  20.173  24.124  26.735
  429   HD11  LEU  54          HD11      LEU  54  17.941  23.997  27.530
  430   HD12  LEU  54          HD12      LEU  54  18.233  25.655  27.019
  431   HD13  LEU  54          HD13      LEU  54  17.286  24.550  25.978
  432   HD21  LEU  54          HD21      LEU  54  19.087  22.098  26.444
  433   HD22  LEU  54          HD22      LEU  54  18.417  22.599  24.891
  434   HD23  LEU  54          HD23      LEU  54  20.179  22.370  25.075
  435    H    ARG  55           H        ARG  55  19.520  26.210  21.930
  436    HA   ARG  55           HA       ARG  55  21.803  27.848  21.354
  437    HB2  ARG  55           HB2      ARG  55  19.412  26.905  19.739
  438    HB3  ARG  55           HB3      ARG  55  20.563  28.046  19.043
  439    HG2  ARG  55           HG2      ARG  55  22.397  26.529  19.328
  440    HG3  ARG  55           HG3      ARG  55  21.410  25.362  20.203
  441    HD2  ARG  55           HD2      ARG  55  20.792  26.250  17.356
  442    HD3  ARG  55           HD3      ARG  55  21.891  24.916  17.707
  443    HE   ARG  55           HE       ARG  55  19.702  24.146  19.114
  444   HH11  ARG  55          HH12      ARG  55  19.923  25.265  15.752
  445   HH12  ARG  55          HH11      ARG  55  18.551  24.267  15.301
  446   HH21  ARG  55          HH22      ARG  55  18.052  22.699  18.225
  447   HH22  ARG  55          HH21      ARG  55  17.669  22.953  16.536
  448    H    GLY  56           H        GLY  56  18.346  28.772  21.473
  449    HA2  GLY  56           HA2      GLY  56  18.636  31.492  20.750
  450    HA3  GLY  56           HA3      GLY  56  17.371  30.842  21.804
  451    H    GLU  57           H        GLU  57  19.050  29.987  24.014
  452    HA   GLU  57           HA       GLU  57  19.443  32.482  25.366
  453    HB2  GLU  57           HB2      GLU  57  20.263  29.626  26.018
  454    HB3  GLU  57           HB3      GLU  57  20.671  30.969  27.054
  455    HG2  GLU  57           HG2      GLU  57  17.955  29.785  26.517
  456    HG3  GLU  57           HG3      GLU  57  18.809  30.061  28.007
  457    H    ILE  58           H        ILE  58  21.767  30.424  23.641
  458    HA   ILE  58           HA       ILE  58  24.074  32.051  24.418
  459    HB   ILE  58           HB       ILE  58  23.826  30.287  21.952
  460   HG12  ILE  58          HG12      ILE  58  24.985  29.425  24.644
  461   HG13  ILE  58          HG13      ILE  58  23.356  29.007  24.124
  462   HG21  ILE  58          HG21      ILE  58  26.267  31.197  23.567
  463   HG22  ILE  58          HG22      ILE  58  26.289  30.249  22.064
  464   HG23  ILE  58          HG23      ILE  58  25.746  31.919  22.032
  465   HD11  ILE  58          HD11      ILE  58  24.771  27.142  23.669
  466   HD12  ILE  58          HD12      ILE  58  24.267  27.851  22.122
  467   HD13  ILE  58          HD13      ILE  58  25.907  28.137  22.749
  468    H    TYR  59           H        TYR  59  21.853  31.909  21.585
  469    HA   TYR  59           HA       TYR  59  23.279  33.843  20.135
  470    HB2  TYR  59           HB2      TYR  59  21.507  32.103  19.354
  471    HB3  TYR  59           HB3      TYR  59  20.343  33.401  19.621
  472    HD1  TYR  59           HD2      TYR  59  20.724  35.641  18.364
  473    HD2  TYR  59           HD1      TYR  59  23.011  32.090  17.557
  474    HE1  TYR  59           HE2      TYR  59  21.627  36.697  16.304
  475    HE2  TYR  59           HE1      TYR  59  23.854  33.076  15.442
  476    HH   TYR  59           HH       TYR  59  23.973  34.992  14.188
  477    H    GLN  60           H        GLN  60  20.342  34.407  22.192
  478    HA   GLN  60           HA       GLN  60  20.181  37.188  21.495
  479    HB2  GLN  60           HB2      GLN  60  19.223  35.613  23.913
  480    HB3  GLN  60           HB3      GLN  60  18.929  37.348  23.733
  481    HG2  GLN  60           HG2      GLN  60  18.050  35.218  21.742
  482    HG3  GLN  60           HG3      GLN  60  17.016  35.962  22.951
  483   HE21  GLN  60          HE21      GLN  60  17.019  35.990  19.857
  484   HE22  GLN  60          HE22      GLN  60  16.838  37.718  19.513
  485    H    ALA  61           H        ALA  61  22.210  35.573  23.948
  486    HA   ALA  61           HA       ALA  61  23.085  38.122  25.082
  487    HB1  ALA  61           HB1      ALA  61  22.856  36.139  26.478
  488    HB2  ALA  61           HB2      ALA  61  24.026  35.255  25.479
  489    HB3  ALA  61           HB3      ALA  61  24.550  36.656  26.442
  490    H    TYR  62           H        TYR  62  24.587  35.699  22.873
  491    HA   TYR  62           HA       TYR  62  26.957  37.501  22.599
  492    HB2  TYR  62           HB2      TYR  62  26.850  34.492  22.308
  493    HB3  TYR  62           HB3      TYR  62  28.285  35.514  22.361
  494    HD1  TYR  62           HD2      TYR  62  28.547  37.033  24.537
  495    HD2  TYR  62           HD1      TYR  62  26.084  33.504  24.304
  496    HE1  TYR  62           HE2      TYR  62  28.477  36.905  27.017
  497    HE2  TYR  62           HE1      TYR  62  26.007  33.378  26.778
  498    HH   TYR  62           HH       TYR  62  26.548  34.451  28.756
  499    H    LYS  63           H        LYS  63  24.347  36.666  20.711
  500    HA   LYS  63           HA       LYS  63  23.902  36.189  18.582
  501    HB2  LYS  63           HB2      LYS  63  25.810  38.520  18.322
  502    HB3  LYS  63           HB3      LYS  63  24.875  37.880  16.972
  503    HG2  LYS  63           HG2      LYS  63  23.692  39.706  17.862
  504    HG3  LYS  63           HG3      LYS  63  22.757  38.257  18.195
  505    HD2  LYS  63           HD2      LYS  63  23.313  38.393  20.561
  506    HD3  LYS  63           HD3      LYS  63  24.557  39.608  20.240
  507    HE2  LYS  63           HE2      LYS  63  22.794  41.174  19.483
  508    HE3  LYS  63           HE3      LYS  63  21.558  39.942  19.788
  509    HZ1  LYS  63           HZ1      LYS  63  21.946  41.634  21.613
  510    HZ2  LYS  63           HZ2      LYS  63  22.002  40.064  22.113
  511    HZ3  LYS  63           HZ3      LYS  63  23.394  40.927  21.905
  512    H    HIS  64           H        HIS  64  25.352  34.262  19.455
  513    HA   HIS  64           HA       HIS  64  26.400  33.098  16.994
  514    HB2  HIS  64           HB2      HIS  64  27.961  33.118  19.644
  515    HB3  HIS  64           HB3      HIS  64  28.290  32.004  18.325
  516    HD1  HIS  64           HD1      HIS  64  28.751  35.718  19.192
  517    HD2  HIS  64           HD2      HIS  64  29.728  32.845  16.278
  518    HE1  HIS  64           HE1      HIS  64  30.655  36.715  17.806
  519    H    GLU  65           H        GLU  65  26.442  30.871  17.034
  520    HA   GLU  65           HA       GLU  65  24.194  29.848  18.744
  521    HB2  GLU  65           HB2      GLU  65  23.927  30.886  16.249
  522    HB3  GLU  65           HB3      GLU  65  24.409  29.357  15.778
  523    HG2  GLU  65           HG2      GLU  65  22.570  28.377  17.272
  524    HG3  GLU  65           HG3      GLU  65  22.117  30.060  17.610
  525    H    THR  66           H        THR  66  26.793  28.868  16.497
  526    HA   THR  66           HA       THR  66  27.661  26.777  18.373
  527    HB   THR  66           HB       THR  66  27.980  25.157  16.460
  528    HG1  THR  66           HG1      THR  66  25.745  26.311  15.244
  529   HG21  THR  66          HG21      THR  66  25.926  24.068  16.756
  530   HG22  THR  66          HG22      THR  66  25.042  25.577  17.077
  531   HG23  THR  66          HG23      THR  66  26.201  24.936  18.264
  532    H    VAL  67           H        VAL  67  29.801  26.200  18.096
  533    HA   VAL  67           HA       VAL  67  31.420  27.242  15.945
  534    HB   VAL  67           HB       VAL  67  32.856  28.075  18.331
  535   HG11  VAL  67          HG11      VAL  67  31.971  29.580  15.854
  536   HG12  VAL  67          HG12      VAL  67  33.230  30.078  17.004
  537   HG13  VAL  67          HG13      VAL  67  33.458  28.622  16.026
  538   HG21  VAL  67          HG21      VAL  67  30.645  28.761  19.258
  539   HG22  VAL  67          HG22      VAL  67  31.717  30.115  18.894
  540   HG23  VAL  67          HG23      VAL  67  30.377  29.750  17.799
  541    HA   PRO  68           HA       PRO  68  30.128  24.892  18.936
  542    HB2  PRO  68           HB2      PRO  68  31.170  23.604  21.098
  543    HB3  PRO  68           HB3      PRO  68  30.781  22.794  19.550
  544    HG2  PRO  68           HG2      PRO  68  33.477  23.847  20.459
  545    HG3  PRO  68           HG3      PRO  68  33.073  22.202  19.852
  546    HD2  PRO  68           HD2      PRO  68  34.068  24.021  18.182
  547    HD3  PRO  68           HD3      PRO  68  32.696  23.017  17.645
  548    H    ALA  69           H        ALA  69  29.489  25.607  21.160
  549    HA   ALA  69           HA       ALA  69  30.827  28.207  21.762
  550    HB1  ALA  69           HB1      ALA  69  28.419  28.277  21.272
  551    HB2  ALA  69           HB2      ALA  69  28.106  27.100  22.566
  552    HB3  ALA  69           HB3      ALA  69  28.716  28.711  22.966
  553    H    ILE  70           H        ILE  70  31.878  28.600  23.682
  554    HA   ILE  70           HA       ILE  70  32.203  26.276  25.536
  555    HB   ILE  70           HB       ILE  70  34.296  28.127  24.337
  556   HG12  ILE  70          HG12      ILE  70  34.223  25.110  24.000
  557   HG13  ILE  70          HG13      ILE  70  33.325  26.139  22.900
  558   HG21  ILE  70          HG21      ILE  70  34.940  27.601  26.627
  559   HG22  ILE  70          HG22      ILE  70  34.618  25.874  26.367
  560   HG23  ILE  70          HG23      ILE  70  35.957  26.683  25.530
  561   HD11  ILE  70          HD11      ILE  70  35.482  25.611  21.942
  562   HD12  ILE  70          HD12      ILE  70  35.354  27.351  22.258
  563   HD13  ILE  70          HD13      ILE  70  36.318  26.320  23.334
  564    H    PHE  71           H        PHE  71  32.219  26.705  27.683
  565    HA   PHE  71           HA       PHE  71  32.348  29.541  28.560
  566    HB2  PHE  71           HB2      PHE  71  30.355  27.432  29.429
  567    HB3  PHE  71           HB3      PHE  71  30.571  28.999  30.198
  568    HD1  PHE  71           HD1      PHE  71  29.618  27.401  26.930
  569    HD2  PHE  71           HD2      PHE  71  29.338  30.881  29.466
  570    HE1  PHE  71           HE1      PHE  71  27.921  28.390  25.403
  571    HE2  PHE  71           HE2      PHE  71  27.590  31.815  27.982
  572    HZ   PHE  71           HZ       PHE  71  26.882  30.562  25.943
  573    H    ILE  72           H        ILE  72  33.283  29.959  30.485
  574    HA   ILE  72           HA       ILE  72  34.458  27.712  32.090
  575    HB   ILE  72           HB       ILE  72  35.827  30.330  31.330
  576   HG12  ILE  72          HG12      ILE  72  36.439  27.463  30.453
  577   HG13  ILE  72          HG13      ILE  72  35.779  28.739  29.431
  578   HG21  ILE  72          HG21      ILE  72  36.827  27.955  32.989
  579   HG22  ILE  72          HG22      ILE  72  37.775  29.401  32.567
  580   HG23  ILE  72          HG23      ILE  72  36.395  29.551  33.631
  581   HD11  ILE  72          HD11      ILE  72  37.878  30.072  29.784
  582   HD12  ILE  72          HD12      ILE  72  38.579  28.648  30.596
  583   HD13  ILE  72          HD13      ILE  72  38.086  28.546  28.901
  584    H    ASN  73           H        ASN  73  33.707  27.827  34.142
  585    HA   ASN  73           HA       ASN  73  32.436  28.540  35.892
  586    HB2  ASN  73           HB2      ASN  73  34.347  30.888  35.755
  587    HB3  ASN  73           HB3      ASN  73  33.456  30.365  37.173
  588   HD21  ASN  73          HD21      ASN  73  36.433  30.537  36.455
  589   HD22  ASN  73          HD22      ASN  73  37.046  28.941  36.884
  590    H    GLY  74           H        GLY  74  30.864  29.005  33.744
  591    HA2  GLY  74           HA2      GLY  74  28.833  30.119  33.285
  592    HA3  GLY  74           HA3      GLY  74  29.247  31.304  34.502
  593    H    ASN  75           H        ASN  75  31.930  31.590  32.669
  594    HA   ASN  75           HA       ASN  75  30.785  33.875  31.153
  595    HB2  ASN  75           HB2      ASN  75  33.592  33.145  32.078
  596    HB3  ASN  75           HB3      ASN  75  33.253  34.532  31.078
  597   HD21  ASN  75          HD21      ASN  75  33.921  33.870  34.208
  598   HD22  ASN  75          HD22      ASN  75  32.938  35.137  34.941
  599    H    PHE  76           H        PHE  76  31.030  34.201  28.957
  600    HA   PHE  76           HA       PHE  76  31.402  31.781  27.370
  601    HB2  PHE  76           HB2      PHE  76  29.469  33.152  27.000
  602    HB3  PHE  76           HB3      PHE  76  30.455  34.580  26.733
  603    HD1  PHE  76           HD1      PHE  76  30.016  31.098  25.327
  604    HD2  PHE  76           HD2      PHE  76  30.909  35.241  24.532
  605    HE1  PHE  76           HE1      PHE  76  30.128  30.616  22.895
  606    HE2  PHE  76           HE2      PHE  76  31.026  34.750  22.103
  607    HZ   PHE  76           HZ       PHE  76  30.626  32.438  21.277
  608    H    ILE  77           H        ILE  77  32.820  31.239  25.930
  609    HA   ILE  77           HA       ILE  77  34.883  33.030  24.765
  610    HB   ILE  77           HB       ILE  77  35.284  30.211  25.853
  611   HG12  ILE  77          HG12      ILE  77  35.334  31.785  27.703
  612   HG13  ILE  77          HG13      ILE  77  36.925  31.123  27.398
  613   HG21  ILE  77          HG21      ILE  77  37.243  31.987  24.347
  614   HG22  ILE  77          HG22      ILE  77  37.687  30.506  25.216
  615   HG23  ILE  77          HG23      ILE  77  36.598  30.415  23.834
  616   HD11  ILE  77          HD11      ILE  77  35.994  33.920  26.612
  617   HD12  ILE  77          HD12      ILE  77  37.085  33.494  27.934
  618   HD13  ILE  77          HD13      ILE  77  37.591  33.250  26.253
  619    H    GLY  78           H        GLY  78  35.219  32.586  22.462
  620    HA2  GLY  78           HA2      GLY  78  33.531  30.322  21.374
  621    HA3  GLY  78           HA3      GLY  78  33.472  31.923  20.683
  622    H    GLY  79           H        GLY  79  34.840  28.938  20.461
  623    HA2  GLY  79           HA2      GLY  79  35.619  28.296  18.259
  624    HA3  GLY  79           HA3      GLY  79  36.529  29.796  18.147
  625    H    CYS  80           H        CYS  80  37.434  26.985  17.863
  626    HA   CYS  80           HA       CYS  80  38.979  26.174  20.134
  627    HB2  CYS  80           HB2      CYS  80  39.183  25.608  17.154
  628    HB3  CYS  80           HB3      CYS  80  40.300  24.915  18.338
  629    HG   CYS  80           HG       CYS  80  37.003  24.750  18.211
  630    H    SER  81           H        SER  81  39.867  28.350  17.408
  631    HA   SER  81           HA       SER  81  42.585  28.749  18.186
  632    HB2  SER  81           HB2      SER  81  40.654  30.631  16.768
  633    HB3  SER  81           HB3      SER  81  42.414  30.853  16.876
  634    HG   SER  81           HG       SER  81  41.831  29.811  14.933
  635    H    ASP  82           H        ASP  82  39.612  30.142  19.433
  636    HA   ASP  82           HA       ASP  82  40.806  32.259  21.017
  637    HB2  ASP  82           HB2      ASP  82  38.403  31.859  19.975
  638    HB3  ASP  82           HB3      ASP  82  38.070  31.040  21.486
  639    H    LEU  83           H        LEU  83  39.512  29.027  21.661
  640    HA   LEU  83           HA       LEU  83  39.952  28.912  24.495
  641    HB2  LEU  83           HB2      LEU  83  38.403  27.409  23.395
  642    HB3  LEU  83           HB3      LEU  83  39.649  26.831  22.297
  643    HG   LEU  83           HG       LEU  83  40.839  25.741  24.188
  644   HD11  LEU  83          HD11      LEU  83  40.035  27.114  26.069
  645   HD12  LEU  83          HD12      LEU  83  38.378  26.536  25.799
  646   HD13  LEU  83          HD13      LEU  83  39.644  25.410  26.332
  647   HD21  LEU  83          HD21      LEU  83  39.354  23.860  24.413
  648   HD22  LEU  83          HD22      LEU  83  37.950  24.848  23.955
  649   HD23  LEU  83          HD23      LEU  83  39.233  24.499  22.775
  650    H    GLU  84           H        GLU  84  41.928  27.747  21.754
  651    HA   GLU  84           HA       GLU  84  44.111  26.668  23.284
  652    HB2  GLU  84           HB2      GLU  84  43.797  27.692  20.428
  653    HB3  GLU  84           HB3      GLU  84  45.357  27.132  21.042
  654    HG2  GLU  84           HG2      GLU  84  44.574  24.956  21.491
  655    HG3  GLU  84           HG3      GLU  84  42.874  25.401  21.285
  656    H    ALA  85           H        ALA  85  43.386  29.965  22.133
  657    HA   ALA  85           HA       ALA  85  45.992  31.003  22.565
  658    HB1  ALA  85           HB1      ALA  85  44.416  32.122  21.112
  659    HB2  ALA  85           HB2      ALA  85  43.204  32.282  22.398
  660    HB3  ALA  85           HB3      ALA  85  44.715  33.220  22.463
  661    H    LEU  86           H        LEU  86  43.178  30.778  24.781
  662    HA   LEU  86           HA       LEU  86  44.398  32.262  26.966
  663    HB2  LEU  86           HB2      LEU  86  42.234  30.106  26.903
  664    HB3  LEU  86           HB3      LEU  86  42.685  31.007  28.343
  665    HG   LEU  86           HG       LEU  86  41.475  32.222  25.826
  666   HD11  LEU  86          HD11      LEU  86  39.894  30.837  27.098
  667   HD12  LEU  86          HD12      LEU  86  40.325  31.691  28.602
  668   HD13  LEU  86          HD13      LEU  86  39.512  32.555  27.286
  669   HD21  LEU  86          HD21      LEU  86  42.169  33.481  28.521
  670   HD22  LEU  86          HD22      LEU  86  42.881  33.877  26.932
  671   HD23  LEU  86          HD23      LEU  86  41.193  34.250  27.253
  672    H    ASP  87           H        ASP  87  44.462  28.901  25.968
  673    HA   ASP  87           HA       ASP  87  45.841  27.822  28.257
  674    HB2  ASP  87           HB2      ASP  87  44.385  26.649  26.489
  675    HB3  ASP  87           HB3      ASP  87  45.796  26.685  25.437
  676    H    LYS  88           H        LYS  88  47.007  28.895  25.022
  677    HA   LYS  88           HA       LYS  88  49.812  28.402  25.586
  678    HB2  LYS  88           HB2      LYS  88  48.354  29.927  23.390
  679    HB3  LYS  88           HB3      LYS  88  50.101  29.991  23.558
  680    HG2  LYS  88           HG2      LYS  88  49.769  28.336  21.974
  681    HG3  LYS  88           HG3      LYS  88  50.170  27.468  23.457
  682    HD2  LYS  88           HD2      LYS  88  47.718  26.975  23.771
  683    HD3  LYS  88           HD3      LYS  88  47.413  27.922  22.294
  684    HE2  LYS  88           HE2      LYS  88  47.268  25.770  21.566
  685    HE3  LYS  88           HE3      LYS  88  48.858  26.316  21.039
  686    HZ1  LYS  88           HZ1      LYS  88  48.875  24.054  22.015
  687    HZ2  LYS  88           HZ2      LYS  88  49.837  25.066  22.905
  688    HZ3  LYS  88           HZ3      LYS  88  48.364  24.611  23.447
  689    H    GLU  89           H        GLU  89  47.846  31.405  25.883
  690    HA   GLU  89           HA       GLU  89  50.179  32.930  26.730
  691    HB2  GLU  89           HB2      GLU  89  47.181  33.404  26.706
  692    HB3  GLU  89           HB3      GLU  89  48.249  34.546  27.488
  693    HG2  GLU  89           HG2      GLU  89  48.648  33.686  24.594
  694    HG3  GLU  89           HG3      GLU  89  47.656  35.058  25.077
  695    H    GLY  90           H        GLY  90  48.506  30.554  28.445
  696    HA2  GLY  90           HA2      GLY  90  48.746  29.925  30.658
  697    HA3  GLY  90           HA3      GLY  90  49.876  31.271  30.882
  698    H    LYS  91           H        LYS  91  46.647  31.929  29.692
  699    HA   LYS  91           HA       LYS  91  45.915  33.478  32.128
  700    HB2  LYS  91           HB2      LYS  91  45.007  33.356  29.218
  701    HB3  LYS  91           HB3      LYS  91  44.057  34.145  30.456
  702    HG2  LYS  91           HG2      LYS  91  46.035  35.606  31.013
  703    HG3  LYS  91           HG3      LYS  91  46.880  34.922  29.618
  704    HD2  LYS  91           HD2      LYS  91  44.192  36.371  29.515
  705    HD3  LYS  91           HD3      LYS  91  45.743  37.142  29.185
  706    HE2  LYS  91           HE2      LYS  91  46.132  35.722  27.241
  707    HE3  LYS  91           HE3      LYS  91  44.719  34.731  27.635
  708    HZ1  LYS  91           HZ1      LYS  91  44.721  37.474  26.555
  709    HZ2  LYS  91           HZ2      LYS  91  43.962  36.155  25.995
  710    HZ3  LYS  91           HZ3      LYS  91  43.407  36.885  27.358
  711    H    LEU  92           H        LEU  92  45.309  30.505  30.589
  712    HA   LEU  92           HA       LEU  92  42.705  29.859  31.605
  713    HB2  LEU  92           HB2      LEU  92  43.777  28.777  29.628
  714    HB3  LEU  92           HB3      LEU  92  45.118  28.252  30.639
  715    HG   LEU  92           HG       LEU  92  43.599  26.785  31.949
  716   HD11  LEU  92          HD11      LEU  92  41.453  27.980  31.582
  717   HD12  LEU  92          HD12      LEU  92  41.513  27.555  29.856
  718   HD13  LEU  92          HD13      LEU  92  41.348  26.295  31.107
  719   HD21  LEU  92          HD21      LEU  92  44.898  25.986  30.005
  720   HD22  LEU  92          HD22      LEU  92  43.431  25.075  30.300
  721   HD23  LEU  92          HD23      LEU  92  43.487  26.271  28.966
  722    H    ASP  93           H        ASP  93  46.031  29.270  32.799
  723    HA   ASP  93           HA       ASP  93  45.394  27.198  34.539
  724    HB2  ASP  93           HB2      ASP  93  47.677  29.205  34.522
  725    HB3  ASP  93           HB3      ASP  93  47.621  27.811  35.597
  726    H    GLY  94           H        GLY  94  45.604  30.664  35.451
  727    HA2  GLY  94           HA2      GLY  94  44.784  30.304  38.194
  728    HA3  GLY  94           HA3      GLY  94  44.786  31.805  37.262
  729    H    LEU  95           H        LEU  95  42.921  30.556  35.159
  730    HA   LEU  95           HA       LEU  95  40.386  31.152  36.483
  731    HB2  LEU  95           HB2      LEU  95  41.198  30.298  33.671
  732    HB3  LEU  95           HB3      LEU  95  39.517  30.427  34.168
  733    HG   LEU  95           HG       LEU  95  41.520  32.723  34.241
  734   HD11  LEU  95          HD11      LEU  95  40.972  31.970  31.938
  735   HD12  LEU  95          HD12      LEU  95  39.237  32.137  32.300
  736   HD13  LEU  95          HD13      LEU  95  40.290  33.566  32.288
  737   HD21  LEU  95          HD21      LEU  95  39.702  33.074  35.878
  738   HD22  LEU  95          HD22      LEU  95  39.492  34.138  34.497
  739   HD23  LEU  95          HD23      LEU  95  38.494  32.681  34.632
  740    H    LEU  96           H        LEU  96  42.133  28.223  35.578
  741    HA   LEU  96           HA       LEU  96  39.997  26.425  36.446
  742    HB2  LEU  96           HB2      LEU  96  42.963  26.004  35.915
  743    HB3  LEU  96           HB3      LEU  96  41.836  24.691  36.244
  744    HG   LEU  96           HG       LEU  96  41.736  26.528  33.822
  745   HD11  LEU  96          HD11      LEU  96  43.643  24.917  33.910
  746   HD12  LEU  96          HD12      LEU  96  42.488  23.585  34.100
  747   HD13  LEU  96          HD13      LEU  96  42.512  24.556  32.612
  748   HD21  LEU  96          HD21      LEU  96  39.474  25.764  34.435
  749   HD22  LEU  96          HD22      LEU  96  40.035  24.963  32.980
  750   HD23  LEU  96          HD23      LEU  96  40.062  24.084  34.530
  751    H    SER  97           H        SER  97  41.742  28.477  38.288
  752    HA   SER  97           HA       SER  97  42.128  26.622  40.601
  753    HB2  SER  97           HB2      SER  97  43.468  29.284  40.028
  754    HB3  SER  97           HB3      SER  97  43.777  28.215  41.405
  755    HG   SER  97           HG       SER  97  44.302  27.752  38.638
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   6.807  32.338  34.241
    2    H2   GLY   1           H2       GLY   1   7.675  32.197  32.845
    3    H3   GLY   1           H3       GLY   1   6.227  32.969  32.840
    4    HA2  GLY   1           HA2      GLY   1   8.029  34.562  32.742
    5    HA3  GLY   1           HA3      GLY   1   7.062  34.726  34.223
    6    H    ALA   2           H        ALA   2  10.121  34.908  33.260
    7    HA   ALA   2           HA       ALA   2  12.171  34.597  34.135
    8    HB1  ALA   2           HB1      ALA   2  10.657  35.014  36.724
    9    HB2  ALA   2           HB2      ALA   2  12.354  35.430  36.385
   10    HB3  ALA   2           HB3      ALA   2  11.046  36.282  35.548
   11    H    MET   3           H        MET   3  10.900  31.910  33.817
   12    HA   MET   3           HA       MET   3  12.137  30.251  35.874
   13    HB2  MET   3           HB2      MET   3  11.114  29.627  33.073
   14    HB3  MET   3           HB3      MET   3  11.913  28.443  34.096
   15    HG2  MET   3           HG2      MET   3   9.721  28.010  34.545
   16    HG3  MET   3           HG3      MET   3  10.174  29.030  35.903
   17    HE1  MET   3           HE1      MET   3   7.627  29.284  36.491
   18    HE2  MET   3           HE2      MET   3   6.382  29.755  35.315
   19    HE3  MET   3           HE3      MET   3   7.252  28.221  35.115
   20    HA   PRO   4           HA       PRO   4  16.293  30.615  34.592
   21    HB2  PRO   4           HB2      PRO   4  17.463  28.273  35.398
   22    HB3  PRO   4           HB3      PRO   4  16.824  29.510  36.519
   23    HG2  PRO   4           HG2      PRO   4  15.427  27.001  35.526
   24    HG3  PRO   4           HG3      PRO   4  15.613  27.566  37.220
   25    HD2  PRO   4           HD2      PRO   4  13.359  28.068  35.807
   26    HD3  PRO   4           HD3      PRO   4  14.036  29.294  36.917
   27    H    SER   5           H        SER   5  18.117  29.665  33.369
   28    HA   SER   5           HA       SER   5  17.355  27.775  31.225
   29    HB2  SER   5           HB2      SER   5  18.394  29.044  29.544
   30    HB3  SER   5           HB3      SER   5  17.204  30.122  30.247
   31    HG   SER   5           HG       SER   5  19.248  31.228  30.068
   32    H    ILE   6           H        ILE   6  19.699  27.912  29.794
   33    HA   ILE   6           HA       ILE   6  21.491  26.127  30.937
   34    HB   ILE   6           HB       ILE   6  22.830  26.441  29.105
   35   HG12  ILE   6          HG12      ILE   6  21.718  29.227  28.760
   36   HG13  ILE   6          HG13      ILE   6  23.385  28.769  29.049
   37   HG21  ILE   6          HG21      ILE   6  21.360  26.206  27.315
   38   HG22  ILE   6          HG22      ILE   6  20.527  25.602  28.761
   39   HG23  ILE   6          HG23      ILE   6  20.095  27.190  28.071
   40   HD11  ILE   6          HD11      ILE   6  23.419  27.691  26.759
   41   HD12  ILE   6          HD12      ILE   6  21.796  28.336  26.481
   42   HD13  ILE   6          HD13      ILE   6  23.150  29.445  26.744
   43    H    ALA   7           H        ALA   7  21.438  29.631  31.265
   44    HA   ALA   7           HA       ALA   7  24.060  30.234  32.014
   45    HB1  ALA   7           HB1      ALA   7  22.277  31.873  31.595
   46    HB2  ALA   7           HB2      ALA   7  21.438  31.373  33.078
   47    HB3  ALA   7           HB3      ALA   7  23.033  32.158  33.175
   48    H    SER   8           H        SER   8  21.469  28.903  34.129
   49    HA   SER   8           HA       SER   8  23.026  28.843  36.547
   50    HB2  SER   8           HB2      SER   8  20.626  27.184  35.693
   51    HB3  SER   8           HB3      SER   8  21.286  27.282  37.342
   52    HG   SER   8           HG       SER   8  19.716  28.795  37.297
   53    H    MET   9           H        MET   9  22.804  26.573  33.816
   54    HA   MET   9           HA       MET   9  24.281  24.406  35.082
   55    HB2  MET   9           HB2      MET   9  24.058  24.893  32.092
   56    HB3  MET   9           HB3      MET   9  24.327  23.381  32.941
   57    HG2  MET   9           HG2      MET   9  22.015  23.438  33.818
   58    HG3  MET   9           HG3      MET   9  21.748  24.998  33.033
   59    HE1  MET   9           HE1      MET   9  19.448  23.072  30.697
   60    HE2  MET   9           HE2      MET   9  19.555  23.132  32.473
   61    HE3  MET   9           HE3      MET   9  19.767  24.616  31.512
   62    H    ILE  10           H        ILE  10  25.149  27.269  33.129
   63    HA   ILE  10           HA       ILE  10  27.946  26.626  32.834
   64    HB   ILE  10           HB       ILE  10  26.951  29.441  32.753
   65   HG12  ILE  10          HG12      ILE  10  26.307  27.119  30.926
   66   HG13  ILE  10          HG13      ILE  10  25.336  28.513  31.450
   67   HG21  ILE  10          HG21      ILE  10  28.741  29.661  31.128
   68   HG22  ILE  10          HG22      ILE  10  29.428  28.879  32.544
   69   HG23  ILE  10          HG23      ILE  10  29.036  27.902  31.135
   70   HD11  ILE  10          HD11      ILE  10  27.476  28.470  29.384
   71   HD12  ILE  10          HD12      ILE  10  25.717  28.646  29.144
   72   HD13  ILE  10          HD13      ILE  10  26.630  29.948  29.966
   73    H    LYS  11           H        LYS  11  26.089  28.037  35.392
   74    HA   LYS  11           HA       LYS  11  28.411  28.605  37.156
   75    HB2  LYS  11           HB2      LYS  11  25.429  28.702  37.566
   76    HB3  LYS  11           HB3      LYS  11  26.630  29.025  38.829
   77    HG2  LYS  11           HG2      LYS  11  27.636  30.816  37.502
   78    HG3  LYS  11           HG3      LYS  11  26.503  30.522  36.159
   79    HD2  LYS  11           HD2      LYS  11  24.622  30.939  37.658
   80    HD3  LYS  11           HD3      LYS  11  25.744  31.293  38.986
   81    HE2  LYS  11           HE2      LYS  11  25.615  32.847  36.354
   82    HE3  LYS  11           HE3      LYS  11  24.754  33.321  37.821
   83    HZ1  LYS  11           HZ1      LYS  11  27.715  33.131  37.579
   84    HZ2  LYS  11           HZ2      LYS  11  26.810  34.510  37.713
   85    HZ3  LYS  11           HZ3      LYS  11  26.887  33.469  38.965
   86    H    GLY  12           H        GLY  12  26.653  25.812  36.245
   87    HA2  GLY  12           HA2      GLY  12  26.891  24.344  38.768
   88    HA3  GLY  12           HA3      GLY  12  26.232  23.764  37.240
   89    H    ASN  13           H        ASN  13  28.685  24.567  35.717
   90    HA   ASN  13           HA       ASN  13  30.796  22.808  36.889
   91    HB2  ASN  13           HB2      ASN  13  29.721  22.850  34.048
   92    HB3  ASN  13           HB3      ASN  13  31.333  22.257  34.415
   93   HD21  ASN  13          HD21      ASN  13  31.428  20.630  36.287
   94   HD22  ASN  13          HD22      ASN  13  30.262  19.325  36.129
   95    H    LYS  14           H        LYS  14  32.961  23.238  36.007
   96    HA   LYS  14           HA       LYS  14  33.580  26.089  36.034
   97    HB2  LYS  14           HB2      LYS  14  34.993  24.117  36.961
   98    HB3  LYS  14           HB3      LYS  14  35.485  23.840  35.301
   99    HG2  LYS  14           HG2      LYS  14  37.168  25.308  35.755
  100    HG3  LYS  14           HG3      LYS  14  35.947  26.545  35.458
  101    HD2  LYS  14           HD2      LYS  14  36.997  27.103  37.519
  102    HD3  LYS  14           HD3      LYS  14  35.387  26.464  37.922
  103    HE2  LYS  14           HE2      LYS  14  36.568  24.189  38.267
  104    HE3  LYS  14           HE3      LYS  14  38.095  25.089  38.168
  105    HZ1  LYS  14           HZ1      LYS  14  37.361  24.821  40.446
  106    HZ2  LYS  14           HZ2      LYS  14  37.340  26.404  40.078
  107    HZ3  LYS  14           HZ3      LYS  14  35.929  25.501  40.149
  108    H    VAL  15           H        VAL  15  33.836  23.537  33.517
  109    HA   VAL  15           HA       VAL  15  33.791  25.659  31.403
  110    HB   VAL  15           HB       VAL  15  35.209  22.991  31.193
  111   HG11  VAL  15          HG11      VAL  15  34.412  23.837  29.032
  112   HG12  VAL  15          HG12      VAL  15  35.129  25.426  29.364
  113   HG13  VAL  15          HG13      VAL  15  36.166  24.000  29.141
  114   HG21  VAL  15          HG21      VAL  15  36.354  25.772  31.651
  115   HG22  VAL  15          HG22      VAL  15  36.469  24.379  32.749
  116   HG23  VAL  15          HG23      VAL  15  37.302  24.341  31.195
  117    H    VAL  16           H        VAL  16  32.178  25.573  29.999
  118    HA   VAL  16           HA       VAL  16  30.599  23.054  29.701
  119    HB   VAL  16           HB       VAL  16  29.382  25.798  30.106
  120   HG11  VAL  16          HG11      VAL  16  28.093  23.067  29.654
  121   HG12  VAL  16          HG12      VAL  16  27.232  24.555  30.097
  122   HG13  VAL  16          HG13      VAL  16  28.039  24.446  28.528
  123   HG21  VAL  16          HG21      VAL  16  28.354  24.619  32.123
  124   HG22  VAL  16          HG22      VAL  16  29.465  23.278  31.818
  125   HG23  VAL  16          HG23      VAL  16  30.097  24.884  32.253
  126    H    VAL  17           H        VAL  17  30.346  22.473  27.619
  127    HA   VAL  17           HA       VAL  17  30.635  24.565  25.481
  128    HB   VAL  17           HB       VAL  17  31.646  21.702  25.483
  129   HG11  VAL  17          HG11      VAL  17  30.940  22.421  23.231
  130   HG12  VAL  17          HG12      VAL  17  32.053  23.801  23.341
  131   HG13  VAL  17          HG13      VAL  17  32.664  22.116  23.373
  132   HG21  VAL  17          HG21      VAL  17  33.091  23.106  26.852
  133   HG22  VAL  17          HG22      VAL  17  33.894  22.753  25.322
  134   HG23  VAL  17          HG23      VAL  17  33.138  24.343  25.578
  135    H    PHE  18           H        PHE  18  29.237  24.475  23.733
  136    HA   PHE  18           HA       PHE  18  27.021  22.434  23.815
  137    HB2  PHE  18           HB2      PHE  18  26.825  25.327  22.931
  138    HB3  PHE  18           HB3      PHE  18  25.540  24.135  22.909
  139    HD1  PHE  18           HD1      PHE  18  24.499  23.343  25.058
  140    HD2  PHE  18           HD2      PHE  18  27.451  26.478  24.975
  141    HE1  PHE  18           HE1      PHE  18  23.748  24.115  27.300
  142    HE2  PHE  18           HE2      PHE  18  26.696  27.250  27.209
  143    HZ   PHE  18           HZ       PHE  18  24.819  26.110  28.357
  144    H    SER  19           H        SER  19  26.901  21.218  22.022
  145    HA   SER  19           HA       SER  19  28.517  21.917  19.597
  146    HB2  SER  19           HB2      SER  19  28.752  19.406  21.306
  147    HB3  SER  19           HB3      SER  19  29.659  19.763  19.817
  148    HG   SER  19           HG       SER  19  30.932  20.398  21.450
  149    H    TRP  20           H        TRP  20  28.513  20.170  17.886
  150    HA   TRP  20           HA       TRP  20  25.906  18.725  17.670
  151    HB2  TRP  20           HB2      TRP  20  27.220  20.411  15.521
  152    HB3  TRP  20           HB3      TRP  20  25.900  19.290  15.252
  153    HD1  TRP  20           HD1      TRP  20  24.298  20.407  18.018
  154    HE1  TRP  20           HE1      TRP  20  22.752  22.375  17.570
  155    HE3  TRP  20           HE3      TRP  20  26.586  22.286  13.826
  156    HZ2  TRP  20           HZ2      TRP  20  22.760  24.717  15.876
  157    HZ3  TRP  20           HZ3      TRP  20  25.830  24.447  12.866
  158    HH2  TRP  20           HH2      TRP  20  23.928  25.678  13.883
  159    H    VAL  21           H        VAL  21  25.994  16.712  16.708
  160    HA   VAL  21           HA       VAL  21  28.653  15.492  16.399
  161    HB   VAL  21           HB       VAL  21  25.906  14.215  16.176
  162   HG11  VAL  21          HG11      VAL  21  28.701  13.003  16.416
  163   HG12  VAL  21          HG12      VAL  21  27.177  12.096  16.528
  164   HG13  VAL  21          HG13      VAL  21  27.611  12.883  15.016
  165   HG21  VAL  21          HG21      VAL  21  26.219  15.014  18.456
  166   HG22  VAL  21          HG22      VAL  21  26.417  13.267  18.418
  167   HG23  VAL  21          HG23      VAL  21  27.854  14.308  18.516
  168    H    THR  22           H        THR  22  28.555  15.282  12.772
  169    HA   THR  22           HA       THR  22  30.280  15.439  15.225
  170    HB   THR  22           HB       THR  22  30.950  14.599  12.389
  171    HG1  THR  22           HG1      THR  22  29.867  12.989  13.422
  172   HG21  THR  22          HG21      THR  22  32.926  15.614  13.414
  173   HG22  THR  22          HG22      THR  22  33.109  13.870  13.403
  174   HG23  THR  22          HG23      THR  22  32.662  14.687  14.914
  175    H    CYS  23           H        CYS  23  31.722  17.134  15.443
  176    HA   CYS  23           HA       CYS  23  31.498  19.342  13.436
  177    HB2  CYS  23           HB2      CYS  23  30.226  19.874  15.388
  178    HB3  CYS  23           HB3      CYS  23  31.564  19.416  16.449
  179    HG   CYS  23           HG       CYS  23  31.184  21.920  14.329
  180    HA   PRO  24           HA       PRO  24  35.890  18.284  13.286
  181    HB2  PRO  24           HB2      PRO  24  36.717  20.029  11.343
  182    HB3  PRO  24           HB3      PRO  24  35.724  18.582  10.995
  183    HG2  PRO  24           HG2      PRO  24  34.769  21.437  11.412
  184    HG3  PRO  24           HG3      PRO  24  34.369  20.326  10.061
  185    HD2  PRO  24           HD2      PRO  24  32.727  20.618  12.196
  186    HD3  PRO  24           HD3      PRO  24  32.962  19.010  11.441
  187    H    TYR  25           H        TYR  25  34.546  21.258  14.296
  188    HA   TYR  25           HA       TYR  25  37.022  22.239  15.545
  189    HB2  TYR  25           HB2      TYR  25  34.196  23.325  15.701
  190    HB3  TYR  25           HB3      TYR  25  35.669  24.153  16.161
  191    HD1  TYR  25           HD1      TYR  25  37.557  23.970  14.102
  192    HD2  TYR  25           HD2      TYR  25  33.267  23.972  13.647
  193    HE1  TYR  25           HE1      TYR  25  37.799  24.698  11.718
  194    HE2  TYR  25           HE2      TYR  25  33.521  24.598  11.247
  195    HH   TYR  25           HH       TYR  25  36.675  25.345   9.796
  196    H    CYS  26           H        CYS  26  33.849  20.952  16.687
  197    HA   CYS  26           HA       CYS  26  34.446  21.132  19.436
  198    HB2  CYS  26           HB2      CYS  26  32.235  20.621  18.433
  199    HB3  CYS  26           HB3      CYS  26  32.743  18.944  18.168
  200    HG   CYS  26           HG       CYS  26  33.534  18.557  20.697
  201    H    VAL  27           H        VAL  27  35.294  18.515  17.198
  202    HA   VAL  27           HA       VAL  27  36.426  16.590  18.864
  203    HB   VAL  27           HB       VAL  27  36.162  16.673  16.520
  204   HG11  VAL  27          HG11      VAL  27  38.661  18.019  15.952
  205   HG12  VAL  27          HG12      VAL  27  37.428  17.349  14.861
  206   HG13  VAL  27          HG13      VAL  27  36.984  18.694  15.920
  207   HG21  VAL  27          HG21      VAL  27  38.952  15.838  17.424
  208   HG22  VAL  27          HG22      VAL  27  37.479  14.852  17.602
  209   HG23  VAL  27          HG23      VAL  27  38.128  15.175  15.987
  210    H    ARG  28           H        ARG  28  37.922  19.132  17.373
  211    HA   ARG  28           HA       ARG  28  40.535  19.179  18.532
  212    HB2  ARG  28           HB2      ARG  28  39.202  21.888  18.123
  213    HB3  ARG  28           HB3      ARG  28  40.902  21.476  18.091
  214    HG2  ARG  28           HG2      ARG  28  40.382  20.123  15.955
  215    HG3  ARG  28           HG3      ARG  28  38.804  20.967  15.981
  216    HD2  ARG  28           HD2      ARG  28  39.971  23.144  16.069
  217    HD3  ARG  28           HD3      ARG  28  41.531  22.311  15.918
  218    HE   ARG  28           HE       ARG  28  40.266  21.351  13.750
  219   HH11  ARG  28          HH12      ARG  28  40.957  24.639  14.771
  220   HH12  ARG  28          HH11      ARG  28  40.563  25.318  13.214
  221   HH21  ARG  28          HH22      ARG  28  39.988  22.249  11.696
  222   HH22  ARG  28          HH21      ARG  28  40.269  23.953  11.504
  223    H    ALA  29           H        ALA  29  37.719  20.956  19.790
  224    HA   ALA  29           HA       ALA  29  38.978  21.826  22.213
  225    HB1  ALA  29           HB1      ALA  29  36.699  22.424  22.898
  226    HB2  ALA  29           HB2      ALA  29  36.993  22.907  21.217
  227    HB3  ALA  29           HB3      ALA  29  36.019  21.462  21.570
  228    H    GLU  30           H        GLU  30  36.732  18.995  21.687
  229    HA   GLU  30           HA       GLU  30  36.789  18.065  24.391
  230    HB2  GLU  30           HB2      GLU  30  36.408  16.637  21.713
  231    HB3  GLU  30           HB3      GLU  30  36.420  15.786  23.247
  232    HG2  GLU  30           HG2      GLU  30  34.560  17.530  23.943
  233    HG3  GLU  30           HG3      GLU  30  34.331  17.680  22.186
  234    H    LYS  31           H        LYS  31  39.141  17.467  21.794
  235    HA   LYS  31           HA       LYS  31  40.490  15.383  23.254
  236    HB2  LYS  31           HB2      LYS  31  40.592  15.563  20.816
  237    HB3  LYS  31           HB3      LYS  31  41.203  17.214  20.911
  238    HG2  LYS  31           HG2      LYS  31  43.332  16.353  21.922
  239    HG3  LYS  31           HG3      LYS  31  42.687  14.706  21.793
  240    HD2  LYS  31           HD2      LYS  31  44.142  15.125  19.929
  241    HD3  LYS  31           HD3      LYS  31  42.469  15.018  19.338
  242    HE2  LYS  31           HE2      LYS  31  42.311  17.320  18.906
  243    HE3  LYS  31           HE3      LYS  31  43.682  17.723  19.983
  244    HZ1  LYS  31           HZ1      LYS  31  44.421  17.827  17.662
  245    HZ2  LYS  31           HZ2      LYS  31  45.136  16.547  18.384
  246    HZ3  LYS  31           HZ3      LYS  31  43.891  16.298  17.366
  247    H    LEU  32           H        LEU  32  41.130  18.804  22.781
  248    HA   LEU  32           HA       LEU  32  43.457  19.079  24.390
  249    HB2  LEU  32           HB2      LEU  32  42.456  20.508  22.552
  250    HB3  LEU  32           HB3      LEU  32  41.256  21.029  23.737
  251    HG   LEU  32           HG       LEU  32  43.046  22.643  23.220
  252   HD11  LEU  32          HD11      LEU  32  41.859  22.807  25.371
  253   HD12  LEU  32          HD12      LEU  32  43.132  21.833  26.139
  254   HD13  LEU  32          HD13      LEU  32  43.521  23.417  25.449
  255   HD21  LEU  32          HD21      LEU  32  45.317  22.355  23.997
  256   HD22  LEU  32          HD22      LEU  32  44.934  20.754  24.664
  257   HD23  LEU  32          HD23      LEU  32  44.874  21.022  22.913
  258    H    LEU  33           H        LEU  33  39.984  19.643  25.176
  259    HA   LEU  33           HA       LEU  33  40.432  20.630  27.788
  260    HB2  LEU  33           HB2      LEU  33  38.010  19.293  26.497
  261    HB3  LEU  33           HB3      LEU  33  37.936  20.054  28.081
  262    HG   LEU  33           HG       LEU  33  38.801  21.530  25.579
  263   HD11  LEU  33          HD11      LEU  33  36.428  20.787  25.390
  264   HD12  LEU  33          HD12      LEU  33  36.083  21.843  26.786
  265   HD13  LEU  33          HD13      LEU  33  36.724  22.531  25.303
  266   HD21  LEU  33          HD21      LEU  33  38.004  22.504  28.333
  267   HD22  LEU  33          HD22      LEU  33  39.597  22.659  27.539
  268   HD23  LEU  33          HD23      LEU  33  38.211  23.562  26.925
  269    H    HIS  34           H        HIS  34  39.895  17.288  26.720
  270    HA   HIS  34           HA       HIS  34  40.111  16.168  29.411
  271    HB2  HIS  34           HB2      HIS  34  39.912  15.046  26.620
  272    HB3  HIS  34           HB3      HIS  34  40.387  14.020  27.977
  273    HD1  HIS  34           HD1      HIS  34  38.464  13.789  30.030
  274    HD2  HIS  34           HD2      HIS  34  37.312  15.554  26.379
  275    HE1  HIS  34           HE1      HIS  34  35.925  13.674  29.926
  276    H    ALA  35           H        ALA  35  42.465  16.932  26.766
  277    HA   ALA  35           HA       ALA  35  44.544  15.285  27.990
  278    HB1  ALA  35           HB1      ALA  35  44.594  15.858  25.606
  279    HB2  ALA  35           HB2      ALA  35  44.710  17.589  25.996
  280    HB3  ALA  35           HB3      ALA  35  46.033  16.483  26.420
  281    H    ARG  36           H        ARG  36  43.515  18.620  28.313
  282    HA   ARG  36           HA       ARG  36  45.843  19.384  29.976
  283    HB2  ARG  36           HB2      ARG  36  43.557  20.929  28.693
  284    HB3  ARG  36           HB3      ARG  36  44.870  21.633  29.618
  285    HG2  ARG  36           HG2      ARG  36  45.085  20.183  26.962
  286    HG3  ARG  36           HG3      ARG  36  45.245  21.921  27.224
  287    HD2  ARG  36           HD2      ARG  36  47.089  19.793  28.325
  288    HD3  ARG  36           HD3      ARG  36  47.379  20.749  26.861
  289    HE   ARG  36           HE       ARG  36  47.209  22.791  28.474
  290   HH11  ARG  36          HH12      ARG  36  48.806  19.760  29.414
  291   HH12  ARG  36          HH11      ARG  36  50.036  20.641  30.275
  292   HH21  ARG  36          HH22      ARG  36  48.705  23.743  29.492
  293   HH22  ARG  36          HH21      ARG  36  50.011  22.881  30.316
  294    H    THR  37           H        THR  37  43.182  17.989  30.873
  295    HA   THR  37           HA       THR  37  42.018  17.692  32.824
  296    HB   THR  37           HB       THR  37  43.611  19.583  34.439
  297    HG1  THR  37           HG1      THR  37  45.421  18.641  33.930
  298   HG21  THR  37          HG21      THR  37  42.792  16.656  34.883
  299   HG22  THR  37          HG22      THR  37  41.895  18.063  35.475
  300   HG23  THR  37          HG23      THR  37  43.520  17.735  36.094
  301    H    LYS  38           H        LYS  38  41.162  19.775  31.056
  302    HA   LYS  38           HA       LYS  38  40.231  21.963  32.829
  303    HB2  LYS  38           HB2      LYS  38  39.769  21.281  29.921
  304    HB3  LYS  38           HB3      LYS  38  38.721  22.368  30.817
  305    HG2  LYS  38           HG2      LYS  38  40.432  23.548  29.465
  306    HG3  LYS  38           HG3      LYS  38  40.524  23.976  31.141
  307    HD2  LYS  38           HD2      LYS  38  42.354  21.780  30.269
  308    HD3  LYS  38           HD3      LYS  38  42.651  23.347  29.539
  309    HE2  LYS  38           HE2      LYS  38  42.624  24.274  31.982
  310    HE3  LYS  38           HE3      LYS  38  42.783  22.596  32.474
  311    HZ1  LYS  38           HZ1      LYS  38  44.862  22.445  31.498
  312    HZ2  LYS  38           HZ2      LYS  38  44.763  23.860  30.622
  313    HZ3  LYS  38           HZ3      LYS  38  44.904  23.845  32.268
  314    H    ASP  39           H        ASP  39  38.948  21.289  34.344
  315    HA   ASP  39           HA       ASP  39  37.172  19.210  34.160
  316    HB2  ASP  39           HB2      ASP  39  37.913  20.382  36.262
  317    HB3  ASP  39           HB3      ASP  39  36.737  21.653  35.934
  318    H    ILE  40           H        ILE  40  35.912  18.919  32.588
  319    HA   ILE  40           HA       ILE  40  34.213  21.091  31.519
  320    HB   ILE  40           HB       ILE  40  36.246  20.328  30.313
  321   HG12  ILE  40          HG12      ILE  40  33.679  20.908  29.163
  322   HG13  ILE  40          HG13      ILE  40  35.286  21.418  28.737
  323   HG21  ILE  40          HG21      ILE  40  34.747  17.767  29.671
  324   HG22  ILE  40          HG22      ILE  40  36.381  18.233  29.157
  325   HG23  ILE  40          HG23      ILE  40  36.063  17.903  30.846
  326   HD11  ILE  40          HD11      ILE  40  35.602  19.389  27.328
  327   HD12  ILE  40          HD12      ILE  40  33.968  18.837  27.773
  328   HD13  ILE  40          HD13      ILE  40  34.179  20.325  26.840
  329    H    THR  41           H        THR  41  32.235  20.841  30.766
  330    HA   THR  41           HA       THR  41  30.894  18.173  30.588
  331    HB   THR  41           HB       THR  41  29.863  20.792  31.733
  332    HG1  THR  41           HG1      THR  41  29.275  19.502  33.384
  333   HG21  THR  41          HG21      THR  41  28.161  18.497  30.688
  334   HG22  THR  41          HG22      THR  41  28.127  20.199  30.154
  335   HG23  THR  41          HG23      THR  41  27.585  19.778  31.779
  336    H    VAL  42           H        VAL  42  30.262  17.835  28.433
  337    HA   VAL  42           HA       VAL  42  29.565  20.264  26.898
  338    HB   VAL  42           HB       VAL  42  31.578  19.798  26.045
  339   HG11  VAL  42          HG11      VAL  42  32.472  18.026  25.031
  340   HG12  VAL  42          HG12      VAL  42  32.089  17.657  26.712
  341   HG13  VAL  42          HG13      VAL  42  31.062  16.971  25.407
  342   HG21  VAL  42          HG21      VAL  42  31.184  19.438  23.667
  343   HG22  VAL  42          HG22      VAL  42  29.673  18.575  24.006
  344   HG23  VAL  42          HG23      VAL  42  29.800  20.317  24.322
  345    H    HIS  43           H        HIS  43  27.842  20.426  25.952
  346    HA   HIS  43           HA       HIS  43  25.831  18.235  26.018
  347    HB2  HIS  43           HB2      HIS  43  25.805  21.270  26.131
  348    HB3  HIS  43           HB3      HIS  43  24.368  20.396  25.698
  349    HD1  HIS  43           HD1      HIS  43  24.254  18.083  27.876
  350    HD2  HIS  43           HD2      HIS  43  25.593  22.018  28.604
  351    HE1  HIS  43           HE1      HIS  43  24.006  18.481  30.357
  352    H    TYR  44           H        TYR  44  25.982  17.152  24.093
  353    HA   TYR  44           HA       TYR  44  26.161  18.594  21.537
  354    HB2  TYR  44           HB2      TYR  44  25.803  15.691  22.265
  355    HB3  TYR  44           HB3      TYR  44  25.546  16.290  20.639
  356    HD1  TYR  44           HD2      TYR  44  28.173  16.030  23.279
  357    HD2  TYR  44           HD1      TYR  44  27.263  17.082  19.239
  358    HE1  TYR  44           HE2      TYR  44  30.620  16.054  22.755
  359    HE2  TYR  44           HE1      TYR  44  29.700  16.997  18.650
  360    HH   TYR  44           HH       TYR  44  32.202  15.998  20.984
  361    H    VAL  45           H        VAL  45  24.496  20.079  21.561
  362    HA   VAL  45           HA       VAL  45  21.840  19.462  22.392
  363    HB   VAL  45           HB       VAL  45  21.174  21.630  21.579
  364   HG11  VAL  45          HG11      VAL  45  22.627  23.006  22.932
  365   HG12  VAL  45          HG12      VAL  45  22.451  21.424  23.719
  366   HG13  VAL  45          HG13      VAL  45  23.939  21.817  22.828
  367   HG21  VAL  45          HG21      VAL  45  23.947  21.891  20.330
  368   HG22  VAL  45          HG22      VAL  45  22.400  21.759  19.461
  369   HG23  VAL  45          HG23      VAL  45  22.725  23.169  20.465
  370    H    ASP  46           H        ASP  46  23.338  18.868  19.370
  371    HA   ASP  46           HA       ASP  46  21.063  18.510  17.662
  372    HB2  ASP  46           HB2      ASP  46  23.520  18.521  17.056
  373    HB3  ASP  46           HB3      ASP  46  23.670  16.928  17.756
  374    H    LYS  47           H        LYS  47  22.334  16.585  20.338
  375    HA   LYS  47           HA       LYS  47  20.592  14.239  19.863
  376    HB2  LYS  47           HB2      LYS  47  22.619  14.768  22.020
  377    HB3  LYS  47           HB3      LYS  47  21.715  13.296  21.749
  378    HG2  LYS  47           HG2      LYS  47  22.824  13.709  19.248
  379    HG3  LYS  47           HG3      LYS  47  24.078  14.359  20.302
  380    HD2  LYS  47           HD2      LYS  47  22.868  11.575  20.291
  381    HD3  LYS  47           HD3      LYS  47  24.536  12.021  19.890
  382    HE2  LYS  47           HE2      LYS  47  24.770  12.884  22.254
  383    HE3  LYS  47           HE3      LYS  47  23.197  12.192  22.632
  384    HZ1  LYS  47           HZ1      LYS  47  24.945  10.632  23.240
  385    HZ2  LYS  47           HZ2      LYS  47  24.004  10.009  22.042
  386    HZ3  LYS  47           HZ3      LYS  47  25.515  10.593  21.704
  387    H    MET  48           H        MET  48  20.142  17.236  21.427
  388    HA   MET  48           HA       MET  48  18.686  16.060  23.755
  389    HB2  MET  48           HB2      MET  48  19.814  18.847  23.345
  390    HB3  MET  48           HB3      MET  48  18.977  18.279  24.793
  391    HG2  MET  48           HG2      MET  48  20.732  16.656  25.248
  392    HG3  MET  48           HG3      MET  48  21.509  17.019  23.711
  393    HE1  MET  48           HE1      MET  48  21.672  19.588  27.537
  394    HE2  MET  48           HE2      MET  48  20.115  19.162  26.795
  395    HE3  MET  48           HE3      MET  48  21.176  17.886  27.436
  396    H    SER  49           H        SER  49  16.538  16.198  23.947
  397    HA   SER  49           HA       SER  49  14.834  17.475  22.062
  398    HB2  SER  49           HB2      SER  49  14.029  16.810  24.901
  399    HB3  SER  49           HB3      SER  49  13.034  16.809  23.433
  400    HG   SER  49           HG       SER  49  13.502  14.721  23.607
  401    H    GLU  50           H        GLU  50  16.078  18.631  25.206
  402    HA   GLU  50           HA       GLU  50  14.724  21.182  25.075
  403    HB2  GLU  50           HB2      GLU  50  15.982  19.814  27.095
  404    HB3  GLU  50           HB3      GLU  50  17.276  20.897  26.628
  405    HG2  GLU  50           HG2      GLU  50  16.282  22.272  28.132
  406    HG3  GLU  50           HG3      GLU  50  15.197  22.687  26.806
  407    H    GLY  51           H        GLY  51  17.317  20.045  23.233
  408    HA2  GLY  51           HA2      GLY  51  19.307  21.967  23.283
  409    HA3  GLY  51           HA3      GLY  51  18.844  21.032  21.864
  410    H    GLU  52           H        GLU  52  16.130  22.347  21.759
  411    HA   GLU  52           HA       GLU  52  16.884  24.637  20.087
  412    HB2  GLU  52           HB2      GLU  52  14.200  23.618  21.133
  413    HB3  GLU  52           HB3      GLU  52  14.354  24.949  19.993
  414    HG2  GLU  52           HG2      GLU  52  15.377  22.138  19.392
  415    HG3  GLU  52           HG3      GLU  52  13.741  22.685  19.028
  416    H    GLN  53           H        GLN  53  15.642  24.221  23.405
  417    HA   GLN  53           HA       GLN  53  15.074  27.044  23.825
  418    HB2  GLN  53           HB2      GLN  53  14.078  24.939  24.990
  419    HB3  GLN  53           HB3      GLN  53  15.527  24.972  26.001
  420    HG2  GLN  53           HG2      GLN  53  14.971  27.288  26.707
  421    HG3  GLN  53           HG3      GLN  53  13.560  27.279  25.643
  422   HE21  GLN  53          HE21      GLN  53  12.296  24.842  26.171
  423   HE22  GLN  53          HE22      GLN  53  11.770  24.883  27.842
  424    H    LEU  54           H        LEU  54  17.783  24.832  24.488
  425    HA   LEU  54           HA       LEU  54  19.464  26.741  25.847
  426    HB2  LEU  54           HB2      LEU  54  20.216  24.253  24.265
  427    HB3  LEU  54           HB3      LEU  54  21.302  25.159  25.282
  428    HG   LEU  54           HG       LEU  54  20.809  24.054  27.090
  429   HD11  LEU  54          HD11      LEU  54  18.717  23.672  28.137
  430   HD12  LEU  54          HD12      LEU  54  18.629  25.288  27.451
  431   HD13  LEU  54          HD13      LEU  54  17.813  23.937  26.632
  432   HD21  LEU  54          HD21      LEU  54  19.091  22.231  25.438
  433   HD22  LEU  54          HD22      LEU  54  20.872  22.205  25.486
  434   HD23  LEU  54          HD23      LEU  54  19.934  21.856  26.945
  435    H    ARG  55           H        ARG  55  19.291  25.739  22.392
  436    HA   ARG  55           HA       ARG  55  21.321  27.441  21.348
  437    HB2  ARG  55           HB2      ARG  55  18.733  26.319  20.220
  438    HB3  ARG  55           HB3      ARG  55  19.783  27.352  19.250
  439    HG2  ARG  55           HG2      ARG  55  21.532  25.779  19.189
  440    HG3  ARG  55           HG3      ARG  55  20.958  24.943  20.618
  441    HD2  ARG  55           HD2      ARG  55  20.297  23.399  19.186
  442    HD3  ARG  55           HD3      ARG  55  18.871  24.356  19.024
  443    HE   ARG  55           HE       ARG  55  20.508  23.539  16.983
  444   HH11  ARG  55          HH22      ARG  55  18.857  26.595  17.593
  445   HH12  ARG  55          HH21      ARG  55  19.496  27.282  16.116
  446   HH21  ARG  55          HH12      ARG  55  20.443  24.268  14.901
  447   HH22  ARG  55          HH11      ARG  55  20.084  25.958  14.597
  448    H    GLY  56           H        GLY  56  17.896  28.249  22.047
  449    HA2  GLY  56           HA2      GLY  56  17.939  30.848  20.837
  450    HA3  GLY  56           HA3      GLY  56  16.814  30.285  22.080
  451    H    GLU  57           H        GLU  57  18.739  29.771  24.167
  452    HA   GLU  57           HA       GLU  57  19.101  32.451  25.215
  453    HB2  GLU  57           HB2      GLU  57  19.564  29.633  26.120
  454    HB3  GLU  57           HB3      GLU  57  20.580  30.850  26.874
  455    HG2  GLU  57           HG2      GLU  57  17.531  31.068  26.788
  456    HG3  GLU  57           HG3      GLU  57  18.455  30.319  28.037
  457    H    ILE  58           H        ILE  58  21.310  30.218  23.553
  458    HA   ILE  58           HA       ILE  58  23.647  31.937  23.947
  459    HB   ILE  58           HB       ILE  58  23.170  29.869  21.769
  460   HG12  ILE  58          HG12      ILE  58  24.674  29.427  24.395
  461   HG13  ILE  58          HG13      ILE  58  23.006  28.928  24.155
  462   HG21  ILE  58          HG21      ILE  58  25.569  29.857  21.481
  463   HG22  ILE  58          HG22      ILE  58  25.093  31.548  21.461
  464   HG23  ILE  58          HG23      ILE  58  25.821  30.872  22.918
  465   HD11  ILE  58          HD11      ILE  58  24.402  27.026  23.814
  466   HD12  ILE  58          HD12      ILE  58  23.688  27.480  22.259
  467   HD13  ILE  58          HD13      ILE  58  25.390  27.869  22.611
  468    H    TYR  59           H        TYR  59  21.223  31.481  21.300
  469    HA   TYR  59           HA       TYR  59  22.475  33.319  19.584
  470    HB2  TYR  59           HB2      TYR  59  20.642  31.519  19.111
  471    HB3  TYR  59           HB3      TYR  59  19.499  32.826  19.407
  472    HD1  TYR  59           HD1      TYR  59  22.209  31.549  17.336
  473    HD2  TYR  59           HD2      TYR  59  19.472  34.818  17.815
  474    HE1  TYR  59           HE1      TYR  59  22.840  32.349  15.076
  475    HE2  TYR  59           HE2      TYR  59  20.146  35.706  15.594
  476    HH   TYR  59           HH       TYR  59  22.652  34.076  13.597
  477    H    GLN  60           H        GLN  60  19.755  33.960  21.826
  478    HA   GLN  60           HA       GLN  60  19.265  36.618  20.953
  479    HB2  GLN  60           HB2      GLN  60  18.794  35.229  23.617
  480    HB3  GLN  60           HB3      GLN  60  18.209  36.862  23.245
  481    HG2  GLN  60           HG2      GLN  60  16.885  36.042  21.368
  482    HG3  GLN  60           HG3      GLN  60  17.516  34.415  21.549
  483   HE21  GLN  60          HE21      GLN  60  15.175  33.830  21.655
  484   HE22  GLN  60          HE22      GLN  60  14.272  34.145  23.138
  485    H    ALA  61           H        ALA  61  21.766  35.436  23.193
  486    HA   ALA  61           HA       ALA  61  22.580  38.177  23.921
  487    HB1  ALA  61           HB1      ALA  61  22.637  36.431  25.607
  488    HB2  ALA  61           HB2      ALA  61  23.698  35.434  24.593
  489    HB3  ALA  61           HB3      ALA  61  24.288  36.977  25.251
  490    H    TYR  62           H        TYR  62  23.907  35.504  21.890
  491    HA   TYR  62           HA       TYR  62  26.229  37.258  21.235
  492    HB2  TYR  62           HB2      TYR  62  26.096  34.241  21.198
  493    HB3  TYR  62           HB3      TYR  62  27.530  35.258  21.136
  494    HD1  TYR  62           HD1      TYR  62  27.720  36.983  23.253
  495    HD2  TYR  62           HD2      TYR  62  25.575  33.257  23.262
  496    HE1  TYR  62           HE1      TYR  62  27.783  36.957  25.736
  497    HE2  TYR  62           HE2      TYR  62  25.573  33.262  25.750
  498    HH   TYR  62           HH       TYR  62  26.006  34.484  27.615
  499    H    LYS  63           H        LYS  63  23.516  36.019  19.669
  500    HA   LYS  63           HA       LYS  63  22.886  35.456  17.625
  501    HB2  LYS  63           HB2      LYS  63  24.869  37.523  16.643
  502    HB3  LYS  63           HB3      LYS  63  23.452  36.940  15.771
  503    HG2  LYS  63           HG2      LYS  63  23.372  38.447  18.413
  504    HG3  LYS  63           HG3      LYS  63  23.184  39.190  16.836
  505    HD2  LYS  63           HD2      LYS  63  21.073  38.136  16.443
  506    HD3  LYS  63           HD3      LYS  63  21.275  37.023  17.816
  507    HE2  LYS  63           HE2      LYS  63  21.265  38.863  19.401
  508    HE3  LYS  63           HE3      LYS  63  21.212  40.045  18.088
  509    HZ1  LYS  63           HZ1      LYS  63  19.011  38.117  18.641
  510    HZ2  LYS  63           HZ2      LYS  63  19.058  39.667  19.151
  511    HZ3  LYS  63           HZ3      LYS  63  18.994  39.341  17.547
  512    H    HIS  64           H        HIS  64  24.696  33.757  18.663
  513    HA   HIS  64           HA       HIS  64  25.403  32.194  16.258
  514    HB2  HIS  64           HB2      HIS  64  27.130  32.502  18.758
  515    HB3  HIS  64           HB3      HIS  64  27.337  31.235  17.551
  516    HD1  HIS  64           HD1      HIS  64  28.433  34.787  18.202
  517    HD2  HIS  64           HD2      HIS  64  28.072  32.061  15.002
  518    HE1  HIS  64           HE1      HIS  64  29.881  35.683  16.332
  519    H    GLU  65           H        GLU  65  24.991  29.896  16.653
  520    HA   GLU  65           HA       GLU  65  23.263  29.381  19.076
  521    HB2  GLU  65           HB2      GLU  65  21.882  27.900  17.769
  522    HB3  GLU  65           HB3      GLU  65  21.859  29.512  17.105
  523    HG2  GLU  65           HG2      GLU  65  23.817  28.456  15.549
  524    HG3  GLU  65           HG3      GLU  65  22.947  26.985  15.943
  525    H    THR  66           H        THR  66  25.492  27.887  16.756
  526    HA   THR  66           HA       THR  66  27.045  26.673  18.870
  527    HB   THR  66           HB       THR  66  25.268  24.885  17.223
  528    HG1  THR  66           HG1      THR  66  24.931  25.644  19.474
  529   HG21  THR  66          HG21      THR  66  27.798  23.984  18.643
  530   HG22  THR  66          HG22      THR  66  27.482  23.870  16.886
  531   HG23  THR  66          HG23      THR  66  26.525  22.927  18.029
  532    H    VAL  67           H        VAL  67  29.091  26.286  18.133
  533    HA   VAL  67           HA       VAL  67  29.588  25.858  15.304
  534    HB   VAL  67           HB       VAL  67  29.498  28.306  15.506
  535   HG11  VAL  67          HG11      VAL  67  30.488  28.641  17.722
  536   HG12  VAL  67          HG12      VAL  67  32.064  28.071  17.104
  537   HG13  VAL  67          HG13      VAL  67  31.339  29.560  16.479
  538   HG21  VAL  67          HG21      VAL  67  32.257  27.358  14.679
  539   HG22  VAL  67          HG22      VAL  67  30.784  27.206  13.694
  540   HG23  VAL  67          HG23      VAL  67  31.393  28.805  14.140
  541    HA   PRO  68           HA       PRO  68  29.687  24.924  18.944
  542    HB2  PRO  68           HB2      PRO  68  31.154  24.160  21.041
  543    HB3  PRO  68           HB3      PRO  68  30.864  23.054  19.664
  544    HG2  PRO  68           HG2      PRO  68  33.290  24.839  20.123
  545    HG3  PRO  68           HG3      PRO  68  33.268  23.068  19.829
  546    HD2  PRO  68           HD2      PRO  68  33.617  24.846  17.795
  547    HD3  PRO  68           HD3      PRO  68  32.668  23.352  17.572
  548    H    ALA  69           H        ALA  69  29.279  25.891  21.034
  549    HA   ALA  69           HA       ALA  69  30.569  28.564  21.410
  550    HB1  ALA  69           HB1      ALA  69  27.944  27.498  22.526
  551    HB2  ALA  69           HB2      ALA  69  28.608  29.131  22.744
  552    HB3  ALA  69           HB3      ALA  69  28.108  28.591  21.134
  553    H    ILE  70           H        ILE  70  31.764  28.960  23.256
  554    HA   ILE  70           HA       ILE  70  32.186  26.679  25.145
  555    HB   ILE  70           HB       ILE  70  34.265  28.550  23.945
  556   HG12  ILE  70          HG12      ILE  70  33.949  25.561  23.439
  557   HG13  ILE  70          HG13      ILE  70  33.390  26.807  22.326
  558   HG21  ILE  70          HG21      ILE  70  35.928  27.138  25.112
  559   HG22  ILE  70          HG22      ILE  70  34.837  27.897  26.252
  560   HG23  ILE  70          HG23      ILE  70  34.617  26.184  25.838
  561   HD11  ILE  70          HD11      ILE  70  35.714  27.677  22.105
  562   HD12  ILE  70          HD12      ILE  70  36.285  26.297  23.075
  563   HD13  ILE  70          HD13      ILE  70  35.489  26.019  21.521
  564    H    PHE  71           H        PHE  71  32.071  27.155  27.257
  565    HA   PHE  71           HA       PHE  71  32.270  30.003  28.117
  566    HB2  PHE  71           HB2      PHE  71  30.179  27.970  28.945
  567    HB3  PHE  71           HB3      PHE  71  30.395  29.579  29.630
  568    HD1  PHE  71           HD1      PHE  71  29.390  27.731  26.551
  569    HD2  PHE  71           HD2      PHE  71  29.437  31.520  28.610
  570    HE1  PHE  71           HE1      PHE  71  27.765  28.661  24.908
  571    HE2  PHE  71           HE2      PHE  71  27.790  32.421  26.985
  572    HZ   PHE  71           HZ       PHE  71  26.963  30.982  25.127
  573    H    ILE  72           H        ILE  72  33.065  30.409  30.125
  574    HA   ILE  72           HA       ILE  72  33.855  28.129  31.856
  575    HB   ILE  72           HB       ILE  72  35.765  30.417  31.252
  576   HG12  ILE  72          HG12      ILE  72  35.802  27.555  30.200
  577   HG13  ILE  72          HG13      ILE  72  35.612  29.029  29.250
  578   HG21  ILE  72          HG21      ILE  72  37.352  28.969  32.576
  579   HG22  ILE  72          HG22      ILE  72  35.969  29.459  33.532
  580   HG23  ILE  72          HG23      ILE  72  36.043  27.821  32.856
  581   HD11  ILE  72          HD11      ILE  72  38.124  28.115  30.675
  582   HD12  ILE  72          HD12      ILE  72  37.843  28.275  28.937
  583   HD13  ILE  72          HD13      ILE  72  37.922  29.733  29.949
  584    H    ASN  73           H        ASN  73  33.114  28.483  33.903
  585    HA   ASN  73           HA       ASN  73  31.911  29.524  35.557
  586    HB2  ASN  73           HB2      ASN  73  34.367  31.289  35.323
  587    HB3  ASN  73           HB3      ASN  73  33.234  31.399  36.660
  588   HD21  ASN  73          HD21      ASN  73  35.955  30.801  37.001
  589   HD22  ASN  73          HD22      ASN  73  35.988  29.223  37.734
  590    H    GLY  74           H        GLY  74  30.542  30.085  33.365
  591    HA2  GLY  74           HA2      GLY  74  28.772  31.417  32.685
  592    HA3  GLY  74           HA3      GLY  74  29.148  32.540  33.984
  593    H    ASN  75           H        ASN  75  31.987  32.316  32.147
  594    HA   ASN  75           HA       ASN  75  31.317  34.790  30.620
  595    HB2  ASN  75           HB2      ASN  75  33.962  33.483  31.399
  596    HB3  ASN  75           HB3      ASN  75  33.839  34.864  30.344
  597   HD21  ASN  75          HD21      ASN  75  34.329  34.049  33.540
  598   HD22  ASN  75          HD22      ASN  75  33.846  35.606  34.213
  599    H    PHE  76           H        PHE  76  31.709  34.940  28.397
  600    HA   PHE  76           HA       PHE  76  31.576  32.354  26.929
  601    HB2  PHE  76           HB2      PHE  76  29.700  33.843  26.602
  602    HB3  PHE  76           HB3      PHE  76  30.767  35.184  26.217
  603    HD1  PHE  76           HD2      PHE  76  30.427  31.600  25.001
  604    HD2  PHE  76           HD1      PHE  76  30.683  35.784  23.971
  605    HE1  PHE  76           HE2      PHE  76  30.417  31.017  22.593
  606    HE2  PHE  76           HE1      PHE  76  30.645  35.191  21.570
  607    HZ   PHE  76           HZ       PHE  76  30.525  32.807  20.870
  608    H    ILE  77           H        ILE  77  32.998  31.725  25.485
  609    HA   ILE  77           HA       ILE  77  35.311  33.392  24.625
  610    HB   ILE  77           HB       ILE  77  35.331  30.539  25.699
  611   HG12  ILE  77          HG12      ILE  77  35.302  32.127  27.545
  612   HG13  ILE  77          HG13      ILE  77  36.839  31.299  27.444
  613   HG21  ILE  77          HG21      ILE  77  36.887  30.601  23.856
  614   HG22  ILE  77          HG22      ILE  77  37.621  32.106  24.444
  615   HG23  ILE  77          HG23      ILE  77  37.808  30.598  25.357
  616   HD11  ILE  77          HD11      ILE  77  37.884  33.317  26.428
  617   HD12  ILE  77          HD12      ILE  77  36.329  34.160  26.510
  618   HD13  ILE  77          HD13      ILE  77  37.147  33.666  27.999
  619    H    GLY  78           H        GLY  78  35.862  33.061  22.428
  620    HA2  GLY  78           HA2      GLY  78  34.577  30.710  21.078
  621    HA3  GLY  78           HA3      GLY  78  34.368  32.298  20.372
  622    H    GLY  79           H        GLY  79  36.024  29.549  20.159
  623    HA2  GLY  79           HA2      GLY  79  37.374  29.594  17.994
  624    HA3  GLY  79           HA3      GLY  79  38.456  30.672  18.859
  625    H    CYS  80           H        CYS  80  38.266  27.583  17.861
  626    HA   CYS  80           HA       CYS  80  39.077  26.090  20.171
  627    HB2  CYS  80           HB2      CYS  80  39.532  25.612  17.197
  628    HB3  CYS  80           HB3      CYS  80  39.878  24.432  18.479
  629    HG   CYS  80           HG       CYS  80  37.025  25.873  17.614
  630    H    SER  81           H        SER  81  41.024  28.041  17.906
  631    HA   SER  81           HA       SER  81  43.550  27.339  19.244
  632    HB2  SER  81           HB2      SER  81  42.931  29.403  17.111
  633    HB3  SER  81           HB3      SER  81  44.534  29.065  17.792
  634    HG   SER  81           HG       SER  81  44.031  27.879  15.839
  635    H    ASP  82           H        ASP  82  41.107  29.882  19.433
  636    HA   ASP  82           HA       ASP  82  42.425  31.720  21.150
  637    HB2  ASP  82           HB2      ASP  82  40.110  31.723  19.890
  638    HB3  ASP  82           HB3      ASP  82  39.454  31.069  21.371
  639    H    LEU  83           H        LEU  83  40.516  28.865  21.874
  640    HA   LEU  83           HA       LEU  83  40.664  28.803  24.715
  641    HB2  LEU  83           HB2      LEU  83  39.107  27.442  23.428
  642    HB3  LEU  83           HB3      LEU  83  40.425  26.651  22.578
  643    HG   LEU  83           HG       LEU  83  41.160  25.556  24.654
  644   HD11  LEU  83          HD11      LEU  83  40.329  27.148  26.347
  645   HD12  LEU  83          HD12      LEU  83  38.650  26.786  25.882
  646   HD13  LEU  83          HD13      LEU  83  39.669  25.538  26.637
  647   HD21  LEU  83          HD21      LEU  83  39.582  24.454  23.106
  648   HD22  LEU  83          HD22      LEU  83  39.340  23.944  24.782
  649   HD23  LEU  83          HD23      LEU  83  38.216  25.107  24.038
  650    H    GLU  84           H        GLU  84  42.896  27.328  22.278
  651    HA   GLU  84           HA       GLU  84  44.737  26.309  24.271
  652    HB2  GLU  84           HB2      GLU  84  45.174  26.973  21.327
  653    HB3  GLU  84           HB3      GLU  84  46.370  26.214  22.388
  654    HG2  GLU  84           HG2      GLU  84  44.732  24.374  22.855
  655    HG3  GLU  84           HG3      GLU  84  43.671  25.052  21.617
  656    H    ALA  85           H        ALA  85  44.414  29.496  22.706
  657    HA   ALA  85           HA       ALA  85  46.958  30.500  23.556
  658    HB1  ALA  85           HB1      ALA  85  44.371  32.030  23.026
  659    HB2  ALA  85           HB2      ALA  85  45.998  32.708  23.095
  660    HB3  ALA  85           HB3      ALA  85  45.578  31.569  21.805
  661    H    LEU  86           H        LEU  86  43.828  30.297  25.274
  662    HA   LEU  86           HA       LEU  86  44.668  31.823  27.599
  663    HB2  LEU  86           HB2      LEU  86  42.527  29.682  27.231
  664    HB3  LEU  86           HB3      LEU  86  42.752  30.618  28.702
  665    HG   LEU  86           HG       LEU  86  42.034  31.817  25.999
  666   HD11  LEU  86          HD11      LEU  86  39.808  32.120  26.968
  667   HD12  LEU  86          HD12      LEU  86  40.238  30.407  26.919
  668   HD13  LEU  86          HD13      LEU  86  40.316  31.296  28.461
  669   HD21  LEU  86          HD21      LEU  86  41.479  33.837  27.335
  670   HD22  LEU  86          HD22      LEU  86  42.137  33.052  28.790
  671   HD23  LEU  86          HD23      LEU  86  43.196  33.456  27.409
  672    H    ASP  87           H        ASP  87  45.021  28.448  26.611
  673    HA   ASP  87           HA       ASP  87  46.095  27.560  29.158
  674    HB2  ASP  87           HB2      ASP  87  45.000  26.131  27.305
  675    HB3  ASP  87           HB3      ASP  87  46.554  26.211  26.502
  676    H    LYS  88           H        LYS  88  47.589  28.697  26.111
  677    HA   LYS  88           HA       LYS  88  50.318  28.487  27.114
  678    HB2  LYS  88           HB2      LYS  88  49.030  29.864  24.731
  679    HB3  LYS  88           HB3      LYS  88  50.686  30.240  25.186
  680    HG2  LYS  88           HG2      LYS  88  50.892  28.581  23.567
  681    HG3  LYS  88           HG3      LYS  88  51.257  27.797  25.103
  682    HD2  LYS  88           HD2      LYS  88  48.922  26.825  25.113
  683    HD3  LYS  88           HD3      LYS  88  48.620  27.658  23.581
  684    HE2  LYS  88           HE2      LYS  88  49.137  25.374  23.084
  685    HE3  LYS  88           HE3      LYS  88  50.442  26.404  22.490
  686    HZ1  LYS  88           HZ1      LYS  88  50.522  24.885  25.044
  687    HZ2  LYS  88           HZ2      LYS  88  51.277  24.419  23.646
  688    HZ3  LYS  88           HZ3      LYS  88  51.772  25.741  24.436
  689    H    GLU  89           H        GLU  89  47.925  31.056  27.381
  690    HA   GLU  89           HA       GLU  89  49.809  32.898  28.679
  691    HB2  GLU  89           HB2      GLU  89  46.771  32.851  28.381
  692    HB3  GLU  89           HB3      GLU  89  47.663  34.115  29.228
  693    HG2  GLU  89           HG2      GLU  89  48.830  34.797  27.270
  694    HG3  GLU  89           HG3      GLU  89  48.156  33.479  26.311
  695    H    GLY  90           H        GLY  90  48.633  30.024  29.820
  696    HA2  GLY  90           HA2      GLY  90  48.664  29.114  31.930
  697    HA3  GLY  90           HA3      GLY  90  49.304  30.650  32.539
  698    H    LYS  91           H        LYS  91  46.393  31.260  30.928
  699    HA   LYS  91           HA       LYS  91  45.138  31.992  33.511
  700    HB2  LYS  91           HB2      LYS  91  44.857  32.682  30.568
  701    HB3  LYS  91           HB3      LYS  91  43.511  33.020  31.643
  702    HG2  LYS  91           HG2      LYS  91  44.712  34.537  32.965
  703    HG3  LYS  91           HG3      LYS  91  46.276  33.962  32.393
  704    HD2  LYS  91           HD2      LYS  91  45.642  36.189  31.490
  705    HD3  LYS  91           HD3      LYS  91  46.032  34.968  30.284
  706    HE2  LYS  91           HE2      LYS  91  43.660  34.650  29.776
  707    HE3  LYS  91           HE3      LYS  91  43.232  35.878  30.991
  708    HZ1  LYS  91           HZ1      LYS  91  44.499  37.490  29.691
  709    HZ2  LYS  91           HZ2      LYS  91  44.912  36.355  28.571
  710    HZ3  LYS  91           HZ3      LYS  91  43.327  36.820  28.762
  711    H    LEU  92           H        LEU  92  44.793  29.529  31.105
  712    HA   LEU  92           HA       LEU  92  42.140  28.700  31.966
  713    HB2  LEU  92           HB2      LEU  92  43.253  28.376  29.685
  714    HB3  LEU  92           HB3      LEU  92  44.258  27.142  30.426
  715    HG   LEU  92           HG       LEU  92  42.267  25.781  30.878
  716   HD11  LEU  92          HD11      LEU  92  40.075  26.413  29.858
  717   HD12  LEU  92          HD12      LEU  92  40.532  27.452  31.206
  718   HD13  LEU  92          HD13      LEU  92  40.730  28.031  29.532
  719   HD21  LEU  92          HD21      LEU  92  41.640  25.339  28.472
  720   HD22  LEU  92          HD22      LEU  92  42.471  26.834  28.019
  721   HD23  LEU  92          HD23      LEU  92  43.384  25.488  28.726
  722    H    ASP  93           H        ASP  93  45.513  27.660  32.705
  723    HA   ASP  93           HA       ASP  93  44.775  25.821  34.810
  724    HB2  ASP  93           HB2      ASP  93  47.278  27.299  33.990
  725    HB3  ASP  93           HB3      ASP  93  47.222  26.535  35.564
  726    H    GLY  94           H        GLY  94  45.362  29.348  34.811
  727    HA2  GLY  94           HA2      GLY  94  45.172  29.750  37.605
  728    HA3  GLY  94           HA3      GLY  94  44.750  30.939  36.362
  729    H    LEU  95           H        LEU  95  42.589  29.482  35.145
  730    HA   LEU  95           HA       LEU  95  40.408  30.038  36.994
  731    HB2  LEU  95           HB2      LEU  95  40.695  28.986  34.157
  732    HB3  LEU  95           HB3      LEU  95  39.118  28.973  34.957
  733    HG   LEU  95           HG       LEU  95  40.783  31.518  34.820
  734   HD11  LEU  95          HD11      LEU  95  40.435  30.689  32.490
  735   HD12  LEU  95          HD12      LEU  95  38.680  30.696  32.781
  736   HD13  LEU  95          HD13      LEU  95  39.599  32.208  32.840
  737   HD21  LEU  95          HD21      LEU  95  37.773  31.049  35.017
  738   HD22  LEU  95          HD22      LEU  95  38.835  31.454  36.379
  739   HD23  LEU  95          HD23      LEU  95  38.614  32.615  35.067
  740    H    LEU  96           H        LEU  96  42.152  27.160  36.025
  741    HA   LEU  96           HA       LEU  96  40.383  25.413  37.642
  742    HB2  LEU  96           HB2      LEU  96  42.477  25.002  35.513
  743    HB3  LEU  96           HB3      LEU  96  41.950  23.587  36.417
  744    HG   LEU  96           HG       LEU  96  39.854  25.508  35.262
  745   HD11  LEU  96          HD11      LEU  96  39.797  24.076  33.265
  746   HD12  LEU  96          HD12      LEU  96  41.245  25.084  33.399
  747   HD13  LEU  96          HD13      LEU  96  41.363  23.362  33.816
  748   HD21  LEU  96          HD21      LEU  96  39.154  23.653  36.813
  749   HD22  LEU  96          HD22      LEU  96  38.520  23.430  35.173
  750   HD23  LEU  96          HD23      LEU  96  39.921  22.483  35.731
  751    H    SER  97           H        SER  97  42.654  27.386  38.569
  752    HA   SER  97           HA       SER  97  44.079  25.697  40.531
  753    HB2  SER  97           HB2      SER  97  43.846  28.720  40.245
  754    HB3  SER  97           HB3      SER  97  44.805  27.883  41.473
  755    HG   SER  97           HG       SER  97  45.068  27.421  38.665
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  15.744  33.531  27.148
    2    H2   GLY   1           H2       GLY   1  16.552  32.477  28.112
    3    H3   GLY   1           H3       GLY   1  17.059  34.042  27.996
    4    HA2  GLY   1           HA2      GLY   1  15.933  33.765  30.074
    5    HA3  GLY   1           HA3      GLY   1  15.007  34.826  29.002
    6    H    ALA   2           H        ALA   2  13.187  34.293  30.234
    7    HA   ALA   2           HA       ALA   2  11.205  33.399  30.685
    8    HB1  ALA   2           HB1      ALA   2  10.134  31.809  29.185
    9    HB2  ALA   2           HB2      ALA   2  10.932  33.111  28.279
   10    HB3  ALA   2           HB3      ALA   2  11.671  31.495  28.365
   11    H    MET   3           H        MET   3  13.736  30.919  30.465
   12    HA   MET   3           HA       MET   3  12.917  29.904  33.105
   13    HB2  MET   3           HB2      MET   3  13.237  28.178  30.616
   14    HB3  MET   3           HB3      MET   3  13.474  27.530  32.240
   15    HG2  MET   3           HG2      MET   3  11.194  28.227  32.872
   16    HG3  MET   3           HG3      MET   3  10.914  28.803  31.223
   17    HE1  MET   3           HE1      MET   3   9.179  26.647  33.009
   18    HE2  MET   3           HE2      MET   3   8.660  27.287  31.432
   19    HE3  MET   3           HE3      MET   3   8.691  25.532  31.716
   20    HA   PRO   4           HA       PRO   4  17.279  30.064  33.891
   21    HB2  PRO   4           HB2      PRO   4  17.015  27.314  35.113
   22    HB3  PRO   4           HB3      PRO   4  17.810  28.779  35.777
   23    HG2  PRO   4           HG2      PRO   4  15.361  28.074  36.660
   24    HG3  PRO   4           HG3      PRO   4  15.716  29.793  36.283
   25    HD2  PRO   4           HD2      PRO   4  14.270  27.754  34.572
   26    HD3  PRO   4           HD3      PRO   4  13.845  29.457  34.923
   27    H    SER   5           H        SER   5  16.124  27.012  32.443
   28    HA   SER   5           HA       SER   5  17.023  25.676  30.814
   29    HB2  SER   5           HB2      SER   5  17.307  28.500  29.791
   30    HB3  SER   5           HB3      SER   5  17.533  27.080  28.745
   31    HG   SER   5           HG       SER   5  15.318  27.964  28.885
   32    H    ILE   6           H        ILE   6  19.392  26.916  29.047
   33    HA   ILE   6           HA       ILE   6  21.339  25.227  30.300
   34    HB   ILE   6           HB       ILE   6  22.754  25.591  28.610
   35   HG12  ILE   6          HG12      ILE   6  21.462  28.210  28.025
   36   HG13  ILE   6          HG13      ILE   6  23.134  27.893  28.439
   37   HG21  ILE   6          HG21      ILE   6  21.673  24.837  26.805
   38   HG22  ILE   6          HG22      ILE   6  20.488  24.517  28.079
   39   HG23  ILE   6          HG23      ILE   6  20.335  25.971  27.032
   40   HD11  ILE   6          HD11      ILE   6  22.902  28.494  26.094
   41   HD12  ILE   6          HD12      ILE   6  23.500  26.826  26.238
   42   HD13  ILE   6          HD13      ILE   6  21.809  27.133  25.799
   43    H    ALA   7           H        ALA   7  20.691  28.594  30.536
   44    HA   ALA   7           HA       ALA   7  23.163  29.698  31.355
   45    HB1  ALA   7           HB1      ALA   7  21.194  31.007  30.668
   46    HB2  ALA   7           HB2      ALA   7  20.343  30.532  32.153
   47    HB3  ALA   7           HB3      ALA   7  21.809  31.525  32.247
   48    H    SER   8           H        SER   8  20.712  27.983  33.270
   49    HA   SER   8           HA       SER   8  22.042  28.233  35.865
   50    HB2  SER   8           HB2      SER   8  19.684  27.619  35.709
   51    HB3  SER   8           HB3      SER   8  20.077  26.198  34.718
   52    HG   SER   8           HG       SER   8  19.884  25.449  36.759
   53    H    MET   9           H        MET   9  22.243  25.863  33.184
   54    HA   MET   9           HA       MET   9  23.811  23.941  34.569
   55    HB2  MET   9           HB2      MET   9  23.269  22.737  32.857
   56    HB3  MET   9           HB3      MET   9  22.548  24.145  32.064
   57    HG2  MET   9           HG2      MET   9  24.434  24.647  30.893
   58    HG3  MET   9           HG3      MET   9  25.467  23.544  31.792
   59    HE1  MET   9           HE1      MET   9  22.172  21.593  29.166
   60    HE2  MET   9           HE2      MET   9  21.879  22.217  30.794
   61    HE3  MET   9           HE3      MET   9  22.163  23.344  29.445
   62    H    ILE  10           H        ILE  10  24.806  26.899  32.922
   63    HA   ILE  10           HA       ILE  10  27.566  26.382  32.687
   64    HB   ILE  10           HB       ILE  10  26.589  29.116  33.529
   65   HG12  ILE  10          HG12      ILE  10  24.946  28.449  31.870
   66   HG13  ILE  10          HG13      ILE  10  25.995  29.710  31.267
   67   HG21  ILE  10          HG21      ILE  10  28.764  28.081  31.670
   68   HG22  ILE  10          HG22      ILE  10  28.309  29.792  31.804
   69   HG23  ILE  10          HG23      ILE  10  28.965  28.932  33.205
   70   HD11  ILE  10          HD11      ILE  10  25.506  28.021  29.551
   71   HD12  ILE  10          HD12      ILE  10  27.241  28.079  29.907
   72   HD13  ILE  10          HD13      ILE  10  26.242  26.756  30.558
   73    H    LYS  11           H        LYS  11  25.721  26.912  35.599
   74    HA   LYS  11           HA       LYS  11  28.087  27.566  37.254
   75    HB2  LYS  11           HB2      LYS  11  25.103  27.348  37.876
   76    HB3  LYS  11           HB3      LYS  11  26.350  27.633  39.085
   77    HG2  LYS  11           HG2      LYS  11  25.630  29.759  38.670
   78    HG3  LYS  11           HG3      LYS  11  27.071  29.671  37.657
   79    HD2  LYS  11           HD2      LYS  11  25.650  29.356  35.654
   80    HD3  LYS  11           HD3      LYS  11  24.197  29.310  36.676
   81    HE2  LYS  11           HE2      LYS  11  24.663  31.616  37.438
   82    HE3  LYS  11           HE3      LYS  11  26.139  31.657  36.470
   83    HZ1  LYS  11           HZ1      LYS  11  24.210  32.734  35.358
   84    HZ2  LYS  11           HZ2      LYS  11  24.812  31.519  34.460
   85    HZ3  LYS  11           HZ3      LYS  11  23.420  31.313  35.306
   86    H    GLY  12           H        GLY  12  26.796  24.624  36.158
   87    HA2  GLY  12           HA2      GLY  12  27.004  23.073  38.594
   88    HA3  GLY  12           HA3      GLY  12  26.854  22.458  36.949
   89    H    ASN  13           H        ASN  13  29.334  23.788  36.016
   90    HA   ASN  13           HA       ASN  13  31.524  22.467  37.530
   91    HB2  ASN  13           HB2      ASN  13  30.857  22.010  34.587
   92    HB3  ASN  13           HB3      ASN  13  32.441  21.681  35.272
   93   HD21  ASN  13          HD21      ASN  13  32.691  19.929  36.890
   94   HD22  ASN  13          HD22      ASN  13  31.428  18.699  36.922
   95    H    LYS  14           H        LYS  14  33.675  23.218  36.803
   96    HA   LYS  14           HA       LYS  14  33.838  26.070  36.723
   97    HB2  LYS  14           HB2      LYS  14  35.536  24.372  37.579
   98    HB3  LYS  14           HB3      LYS  14  35.931  24.036  35.894
   99    HG2  LYS  14           HG2      LYS  14  37.456  25.637  35.949
  100    HG3  LYS  14           HG3      LYS  14  36.164  26.834  36.063
  101    HD2  LYS  14           HD2      LYS  14  37.590  27.353  37.862
  102    HD3  LYS  14           HD3      LYS  14  36.273  26.453  38.631
  103    HE2  LYS  14           HE2      LYS  14  37.702  24.358  38.431
  104    HE3  LYS  14           HE3      LYS  14  39.002  25.368  37.795
  105    HZ1  LYS  14           HZ1      LYS  14  38.895  26.620  39.940
  106    HZ2  LYS  14           HZ2      LYS  14  37.806  25.502  40.488
  107    HZ3  LYS  14           HZ3      LYS  14  39.334  25.057  40.129
  108    H    VAL  15           H        VAL  15  34.142  23.631  34.155
  109    HA   VAL  15           HA       VAL  15  33.900  25.734  32.068
  110    HB   VAL  15           HB       VAL  15  35.269  23.060  31.744
  111   HG11  VAL  15          HG11      VAL  15  34.378  23.973  29.639
  112   HG12  VAL  15          HG12      VAL  15  35.180  25.523  29.958
  113   HG13  VAL  15          HG13      VAL  15  36.138  24.060  29.670
  114   HG21  VAL  15          HG21      VAL  15  37.328  24.634  31.579
  115   HG22  VAL  15          HG22      VAL  15  36.344  25.797  32.474
  116   HG23  VAL  15          HG23      VAL  15  36.714  24.219  33.191
  117    H    VAL  16           H        VAL  16  32.286  25.604  30.621
  118    HA   VAL  16           HA       VAL  16  30.774  23.063  30.385
  119    HB   VAL  16           HB       VAL  16  29.465  25.744  30.892
  120   HG11  VAL  16          HG11      VAL  16  28.188  23.068  30.163
  121   HG12  VAL  16          HG12      VAL  16  27.321  24.511  30.728
  122   HG13  VAL  16          HG13      VAL  16  28.157  24.550  29.180
  123   HG21  VAL  16          HG21      VAL  16  28.426  24.399  32.796
  124   HG22  VAL  16          HG22      VAL  16  29.543  23.091  32.407
  125   HG23  VAL  16          HG23      VAL  16  30.162  24.663  32.962
  126    H    VAL  17           H        VAL  17  30.096  22.524  28.354
  127    HA   VAL  17           HA       VAL  17  30.670  24.453  26.136
  128    HB   VAL  17           HB       VAL  17  31.658  21.587  26.433
  129   HG11  VAL  17          HG11      VAL  17  30.927  21.860  24.110
  130   HG12  VAL  17          HG12      VAL  17  31.804  23.403  23.979
  131   HG13  VAL  17          HG13      VAL  17  32.683  21.869  24.192
  132   HG21  VAL  17          HG21      VAL  17  33.094  23.204  27.533
  133   HG22  VAL  17          HG22      VAL  17  33.868  22.668  26.040
  134   HG23  VAL  17          HG23      VAL  17  33.073  24.256  26.104
  135    H    PHE  18           H        PHE  18  29.355  24.375  24.338
  136    HA   PHE  18           HA       PHE  18  27.123  22.358  24.357
  137    HB2  PHE  18           HB2      PHE  18  26.979  25.247  23.444
  138    HB3  PHE  18           HB3      PHE  18  25.705  24.051  23.304
  139    HD1  PHE  18           HD1      PHE  18  27.592  26.185  25.658
  140    HD2  PHE  18           HD2      PHE  18  24.474  23.261  25.252
  141    HE1  PHE  18           HE1      PHE  18  26.812  26.714  27.946
  142    HE2  PHE  18           HE2      PHE  18  23.737  23.721  27.581
  143    HZ   PHE  18           HZ       PHE  18  24.842  25.499  28.918
  144    H    SER  19           H        SER  19  27.199  21.015  22.725
  145    HA   SER  19           HA       SER  19  28.641  21.703  20.190
  146    HB2  SER  19           HB2      SER  19  29.150  19.348  22.054
  147    HB3  SER  19           HB3      SER  19  29.790  19.494  20.417
  148    HG   SER  19           HG       SER  19  31.313  20.246  21.776
  149    H    TRP  20           H        TRP  20  28.613  19.870  18.618
  150    HA   TRP  20           HA       TRP  20  26.081  18.295  18.647
  151    HB2  TRP  20           HB2      TRP  20  27.293  19.882  16.394
  152    HB3  TRP  20           HB3      TRP  20  26.497  18.356  16.051
  153    HD1  TRP  20           HD1      TRP  20  24.788  20.325  18.733
  154    HE1  TRP  20           HE1      TRP  20  22.557  21.248  17.833
  155    HE3  TRP  20           HE3      TRP  20  25.391  19.237  13.776
  156    HZ2  TRP  20           HZ2      TRP  20  21.217  21.485  15.307
  157    HZ3  TRP  20           HZ3      TRP  20  23.593  19.755  12.154
  158    HH2  TRP  20           HH2      TRP  20  21.520  20.908  12.889
  159    H    VAL  21           H        VAL  21  26.208  16.252  18.062
  160    HA   VAL  21           HA       VAL  21  28.850  14.976  17.613
  161    HB   VAL  21           HB       VAL  21  27.534  12.812  17.735
  162   HG11  VAL  21          HG11      VAL  21  27.765  14.541  20.239
  163   HG12  VAL  21          HG12      VAL  21  27.700  12.765  20.183
  164   HG13  VAL  21          HG13      VAL  21  29.082  13.617  19.489
  165   HG21  VAL  21          HG21      VAL  21  25.499  12.765  19.025
  166   HG22  VAL  21          HG22      VAL  21  25.499  14.525  19.229
  167   HG23  VAL  21          HG23      VAL  21  25.233  13.807  17.625
  168    H    THR  22           H        THR  22  28.124  14.225  14.158
  169    HA   THR  22           HA       THR  22  30.218  14.346  16.306
  170    HB   THR  22           HB       THR  22  30.456  12.900  13.692
  171    HG1  THR  22           HG1      THR  22  29.646  11.738  16.146
  172   HG21  THR  22          HG21      THR  22  31.884  12.631  16.354
  173   HG22  THR  22          HG22      THR  22  32.538  13.255  14.822
  174   HG23  THR  22          HG23      THR  22  32.109  11.542  14.966
  175    H    CYS  23           H        CYS  23  31.638  16.072  15.986
  176    HA   CYS  23           HA       CYS  23  31.455  17.456  13.364
  177    HB2  CYS  23           HB2      CYS  23  30.800  18.661  16.063
  178    HB3  CYS  23           HB3      CYS  23  30.908  19.558  14.532
  179    HG   CYS  23           HG       CYS  23  29.053  18.229  13.236
  180    HA   PRO  24           HA       PRO  24  35.607  17.810  13.406
  181    HB2  PRO  24           HB2      PRO  24  35.501  20.509  12.078
  182    HB3  PRO  24           HB3      PRO  24  36.304  19.006  11.529
  183    HG2  PRO  24           HG2      PRO  24  33.962  19.784  10.421
  184    HG3  PRO  24           HG3      PRO  24  34.214  18.057  10.851
  185    HD2  PRO  24           HD2      PRO  24  32.789  20.204  12.458
  186    HD3  PRO  24           HD3      PRO  24  32.229  18.580  11.998
  187    H    TYR  25           H        TYR  25  34.285  20.748  14.963
  188    HA   TYR  25           HA       TYR  25  36.943  21.343  16.143
  189    HB2  TYR  25           HB2      TYR  25  34.266  22.734  16.389
  190    HB3  TYR  25           HB3      TYR  25  35.743  23.235  17.194
  191    HD1  TYR  25           HD1      TYR  25  37.916  23.191  15.463
  192    HD2  TYR  25           HD2      TYR  25  33.809  24.070  14.450
  193    HE1  TYR  25           HE1      TYR  25  38.670  24.377  13.436
  194    HE2  TYR  25           HE2      TYR  25  34.578  25.271  12.417
  195    HH   TYR  25           HH       TYR  25  38.088  25.460  11.563
  196    H    CYS  26           H        CYS  26  33.806  20.070  17.133
  197    HA   CYS  26           HA       CYS  26  34.246  20.201  19.912
  198    HB2  CYS  26           HB2      CYS  26  32.133  19.776  18.789
  199    HB3  CYS  26           HB3      CYS  26  32.630  18.120  18.383
  200    HG   CYS  26           HG       CYS  26  33.082  17.291  20.865
  201    H    VAL  27           H        VAL  27  35.260  17.623  17.669
  202    HA   VAL  27           HA       VAL  27  36.435  15.758  19.369
  203    HB   VAL  27           HB       VAL  27  36.270  15.650  17.083
  204   HG11  VAL  27          HG11      VAL  27  37.372  16.416  15.350
  205   HG12  VAL  27          HG12      VAL  27  36.829  17.764  16.347
  206   HG13  VAL  27          HG13      VAL  27  38.561  17.264  16.355
  207   HG21  VAL  27          HG21      VAL  27  39.194  15.288  17.881
  208   HG22  VAL  27          HG22      VAL  27  37.894  14.125  18.236
  209   HG23  VAL  27          HG23      VAL  27  38.383  14.421  16.559
  210    H    ARG  28           H        ARG  28  37.922  18.207  17.817
  211    HA   ARG  28           HA       ARG  28  40.480  18.416  19.061
  212    HB2  ARG  28           HB2      ARG  28  39.039  20.941  18.128
  213    HB3  ARG  28           HB3      ARG  28  40.757  20.712  18.389
  214    HG2  ARG  28           HG2      ARG  28  40.458  18.802  16.561
  215    HG3  ARG  28           HG3      ARG  28  38.999  19.709  16.174
  216    HD2  ARG  28           HD2      ARG  28  40.755  20.456  14.707
  217    HD3  ARG  28           HD3      ARG  28  40.371  21.758  15.832
  218    HE   ARG  28           HE       ARG  28  42.774  19.942  15.948
  219   HH11  ARG  28          HH12      ARG  28  41.615  23.228  16.460
  220   HH12  ARG  28          HH11      ARG  28  42.945  23.567  17.550
  221   HH21  ARG  28          HH22      ARG  28  44.362  20.487  17.357
  222   HH22  ARG  28          HH21      ARG  28  44.332  22.062  18.137
  223    H    ALA  29           H        ALA  29  37.603  20.260  20.071
  224    HA   ALA  29           HA       ALA  29  38.831  21.461  22.357
  225    HB1  ALA  29           HB1      ALA  29  36.823  22.353  21.254
  226    HB2  ALA  29           HB2      ALA  29  35.886  20.934  21.779
  227    HB3  ALA  29           HB3      ALA  29  36.537  22.068  22.985
  228    H    GLU  30           H        GLU  30  36.644  18.542  22.250
  229    HA   GLU  30           HA       GLU  30  36.715  18.002  25.061
  230    HB2  GLU  30           HB2      GLU  30  36.441  16.142  22.652
  231    HB3  GLU  30           HB3      GLU  30  36.180  15.636  24.321
  232    HG2  GLU  30           HG2      GLU  30  34.302  17.174  24.567
  233    HG3  GLU  30           HG3      GLU  30  34.529  17.793  22.930
  234    H    LYS  31           H        LYS  31  39.042  17.143  22.586
  235    HA   LYS  31           HA       LYS  31  40.570  15.382  24.294
  236    HB2  LYS  31           HB2      LYS  31  40.810  15.087  21.945
  237    HB3  LYS  31           HB3      LYS  31  40.944  16.809  21.647
  238    HG2  LYS  31           HG2      LYS  31  43.266  16.764  22.694
  239    HG3  LYS  31           HG3      LYS  31  43.103  15.012  22.817
  240    HD2  LYS  31           HD2      LYS  31  44.282  15.418  20.773
  241    HD3  LYS  31           HD3      LYS  31  42.632  15.003  20.313
  242    HE2  LYS  31           HE2      LYS  31  42.945  16.876  18.994
  243    HE3  LYS  31           HE3      LYS  31  42.250  17.640  20.421
  244    HZ1  LYS  31           HZ1      LYS  31  44.125  18.891  19.946
  245    HZ2  LYS  31           HZ2      LYS  31  44.652  17.949  21.173
  246    HZ3  LYS  31           HZ3      LYS  31  45.082  17.587  19.623
  247    H    LEU  32           H        LEU  32  40.999  18.755  23.309
  248    HA   LEU  32           HA       LEU  32  43.343  19.368  24.782
  249    HB2  LEU  32           HB2      LEU  32  42.026  20.578  22.880
  250    HB3  LEU  32           HB3      LEU  32  41.064  21.239  24.193
  251    HG   LEU  32           HG       LEU  32  42.716  22.774  23.295
  252   HD11  LEU  32          HD11      LEU  32  43.732  23.618  25.294
  253   HD12  LEU  32          HD12      LEU  32  42.114  23.009  25.687
  254   HD13  LEU  32          HD13      LEU  32  43.558  22.060  26.114
  255   HD21  LEU  32          HD21      LEU  32  44.914  20.955  24.341
  256   HD22  LEU  32          HD22      LEU  32  44.410  21.059  22.643
  257   HD23  LEU  32          HD23      LEU  32  45.079  22.484  23.444
  258    H    LEU  33           H        LEU  33  39.893  19.796  25.654
  259    HA   LEU  33           HA       LEU  33  40.341  21.104  28.125
  260    HB2  LEU  33           HB2      LEU  33  38.024  19.396  27.074
  261    HB3  LEU  33           HB3      LEU  33  37.901  20.294  28.573
  262    HG   LEU  33           HG       LEU  33  38.478  21.559  25.880
  263   HD11  LEU  33          HD11      LEU  33  36.310  22.313  25.653
  264   HD12  LEU  33          HD12      LEU  33  36.194  20.581  25.986
  265   HD13  LEU  33          HD13      LEU  33  35.851  21.779  27.270
  266   HD21  LEU  33          HD21      LEU  33  37.820  23.684  27.000
  267   HD22  LEU  33          HD22      LEU  33  37.738  22.800  28.535
  268   HD23  LEU  33          HD23      LEU  33  39.292  22.982  27.674
  269    H    HIS  34           H        HIS  34  39.888  17.594  27.535
  270    HA   HIS  34           HA       HIS  34  40.441  16.926  30.310
  271    HB2  HIS  34           HB2      HIS  34  40.191  15.405  27.711
  272    HB3  HIS  34           HB3      HIS  34  40.783  14.616  29.181
  273    HD1  HIS  34           HD1      HIS  34  39.047  14.759  31.369
  274    HD2  HIS  34           HD2      HIS  34  37.529  15.664  27.547
  275    HE1  HIS  34           HE1      HIS  34  36.500  14.607  31.532
  276    H    ALA  35           H        ALA  35  42.572  17.412  27.433
  277    HA   ALA  35           HA       ALA  35  44.902  16.222  28.665
  278    HB1  ALA  35           HB1      ALA  35  44.642  18.309  26.452
  279    HB2  ALA  35           HB2      ALA  35  46.115  17.422  26.860
  280    HB3  ALA  35           HB3      ALA  35  44.712  16.549  26.236
  281    H    ARG  36           H        ARG  36  43.446  19.365  28.909
  282    HA   ARG  36           HA       ARG  36  45.681  20.553  30.497
  283    HB2  ARG  36           HB2      ARG  36  43.427  21.577  28.777
  284    HB3  ARG  36           HB3      ARG  36  44.020  22.594  30.042
  285    HG2  ARG  36           HG2      ARG  36  45.048  23.132  27.938
  286    HG3  ARG  36           HG3      ARG  36  46.225  22.702  29.185
  287    HD2  ARG  36           HD2      ARG  36  46.640  20.563  28.156
  288    HD3  ARG  36           HD3      ARG  36  45.329  20.809  26.983
  289    HE   ARG  36           HE       ARG  36  46.913  23.022  26.582
  290   HH11  ARG  36          HH12      ARG  36  48.029  19.718  26.786
  291   HH12  ARG  36          HH11      ARG  36  49.230  19.985  25.558
  292   HH21  ARG  36          HH22      ARG  36  48.380  23.287  25.142
  293   HH22  ARG  36          HH21      ARG  36  49.371  21.955  24.532
  294    H    THR  37           H        THR  37  43.245  18.756  31.400
  295    HA   THR  37           HA       THR  37  42.211  18.358  33.355
  296    HB   THR  37           HB       THR  37  43.487  20.532  34.891
  297    HG1  THR  37           HG1      THR  37  44.842  18.295  33.739
  298   HG21  THR  37          HG21      THR  37  43.272  17.503  35.336
  299   HG22  THR  37          HG22      THR  37  42.190  18.730  36.018
  300   HG23  THR  37          HG23      THR  37  43.883  18.685  36.514
  301    H    LYS  38           H        LYS  38  40.889  20.208  31.589
  302    HA   LYS  38           HA       LYS  38  39.636  22.260  33.312
  303    HB2  LYS  38           HB2      LYS  38  39.132  21.297  30.509
  304    HB3  LYS  38           HB3      LYS  38  37.951  22.231  31.400
  305    HG2  LYS  38           HG2      LYS  38  39.296  23.695  29.972
  306    HG3  LYS  38           HG3      LYS  38  39.455  24.112  31.652
  307    HD2  LYS  38           HD2      LYS  38  41.632  22.354  30.592
  308    HD3  LYS  38           HD3      LYS  38  41.513  23.970  29.880
  309    HE2  LYS  38           HE2      LYS  38  41.352  24.919  32.229
  310    HE3  LYS  38           HE3      LYS  38  41.765  23.299  32.824
  311    HZ1  LYS  38           HZ1      LYS  38  43.939  23.539  32.089
  312    HZ2  LYS  38           HZ2      LYS  38  43.627  24.670  30.949
  313    HZ3  LYS  38           HZ3      LYS  38  43.605  25.062  32.521
  314    H    ASP  39           H        ASP  39  38.601  21.533  34.995
  315    HA   ASP  39           HA       ASP  39  36.783  19.396  35.106
  316    HB2  ASP  39           HB2      ASP  39  37.344  20.636  37.136
  317    HB3  ASP  39           HB3      ASP  39  36.761  22.129  36.456
  318    H    ILE  40           H        ILE  40  35.541  19.017  33.448
  319    HA   ILE  40           HA       ILE  40  34.029  21.205  32.151
  320    HB   ILE  40           HB       ILE  40  36.112  20.398  31.099
  321   HG12  ILE  40          HG12      ILE  40  33.651  21.028  29.814
  322   HG13  ILE  40          HG13      ILE  40  35.298  21.408  29.384
  323   HG21  ILE  40          HG21      ILE  40  36.264  18.258  29.982
  324   HG22  ILE  40          HG22      ILE  40  35.924  18.008  31.682
  325   HG23  ILE  40          HG23      ILE  40  34.623  17.814  30.509
  326   HD11  ILE  40          HD11      ILE  40  34.086  20.264  27.550
  327   HD12  ILE  40          HD12      ILE  40  35.524  19.361  28.058
  328   HD13  ILE  40          HD13      ILE  40  33.891  18.827  28.555
  329    H    THR  41           H        THR  41  32.020  20.961  31.371
  330    HA   THR  41           HA       THR  41  30.781  18.257  31.182
  331    HB   THR  41           HB       THR  41  29.829  20.562  32.813
  332    HG1  THR  41           HG1      THR  41  29.681  19.007  34.126
  333   HG21  THR  41          HG21      THR  41  28.008  20.668  31.249
  334   HG22  THR  41          HG22      THR  41  27.457  19.782  32.673
  335   HG23  THR  41          HG23      THR  41  27.870  18.896  31.187
  336    H    VAL  42           H        VAL  42  30.158  17.930  29.090
  337    HA   VAL  42           HA       VAL  42  29.309  20.304  27.539
  338    HB   VAL  42           HB       VAL  42  31.011  19.665  26.342
  339   HG11  VAL  42          HG11      VAL  42  31.837  17.489  25.786
  340   HG12  VAL  42          HG12      VAL  42  31.897  17.935  27.483
  341   HG13  VAL  42          HG13      VAL  42  30.641  16.777  26.914
  342   HG21  VAL  42          HG21      VAL  42  29.120  19.669  24.813
  343   HG22  VAL  42          HG22      VAL  42  30.405  18.581  24.280
  344   HG23  VAL  42          HG23      VAL  42  28.944  17.909  25.033
  345    H    HIS  43           H        HIS  43  27.505  20.476  26.487
  346    HA   HIS  43           HA       HIS  43  25.397  18.397  26.879
  347    HB2  HIS  43           HB2      HIS  43  25.112  20.649  27.985
  348    HB3  HIS  43           HB3      HIS  43  25.115  21.375  26.400
  349    HD1  HIS  43           HD1      HIS  43  23.032  18.323  27.761
  350    HD2  HIS  43           HD2      HIS  43  22.648  22.138  26.023
  351    HE1  HIS  43           HE1      HIS  43  20.564  18.675  27.344
  352    H    TYR  44           H        TYR  44  24.744  17.366  25.088
  353    HA   TYR  44           HA       TYR  44  25.717  18.330  22.469
  354    HB2  TYR  44           HB2      TYR  44  24.621  15.644  23.294
  355    HB3  TYR  44           HB3      TYR  44  25.218  16.067  21.686
  356    HD1  TYR  44           HD1      TYR  44  27.646  16.953  21.476
  357    HD2  TYR  44           HD2      TYR  44  26.141  14.903  24.966
  358    HE1  TYR  44           HE1      TYR  44  29.972  16.428  22.148
  359    HE2  TYR  44           HE2      TYR  44  28.469  14.350  25.632
  360    HH   TYR  44           HH       TYR  44  31.346  15.204  23.739
  361    H    VAL  45           H        VAL  45  24.289  19.995  22.037
  362    HA   VAL  45           HA       VAL  45  21.425  19.635  22.085
  363    HB   VAL  45           HB       VAL  45  21.245  21.873  21.152
  364   HG11  VAL  45          HG11      VAL  45  21.557  21.566  23.587
  365   HG12  VAL  45          HG12      VAL  45  23.317  21.733  23.382
  366   HG13  VAL  45          HG13      VAL  45  22.234  23.090  23.014
  367   HG21  VAL  45          HG21      VAL  45  23.227  23.288  20.804
  368   HG22  VAL  45          HG22      VAL  45  24.291  21.879  21.003
  369   HG23  VAL  45          HG23      VAL  45  23.158  21.979  19.635
  370    H    ASP  46           H        ASP  46  23.332  18.119  20.045
  371    HA   ASP  46           HA       ASP  46  21.593  18.148  17.647
  372    HB2  ASP  46           HB2      ASP  46  24.012  17.627  17.439
  373    HB3  ASP  46           HB3      ASP  46  23.831  16.279  18.546
  374    H    LYS  47           H        LYS  47  21.919  16.349  20.716
  375    HA   LYS  47           HA       LYS  47  20.737  13.922  19.693
  376    HB2  LYS  47           HB2      LYS  47  21.482  14.681  22.510
  377    HB3  LYS  47           HB3      LYS  47  20.921  13.094  21.965
  378    HG2  LYS  47           HG2      LYS  47  22.863  13.482  20.106
  379    HG3  LYS  47           HG3      LYS  47  23.530  14.462  21.404
  380    HD2  LYS  47           HD2      LYS  47  22.742  11.530  21.504
  381    HD3  LYS  47           HD3      LYS  47  24.393  12.176  21.436
  382    HE2  LYS  47           HE2      LYS  47  23.710  13.448  23.627
  383    HE3  LYS  47           HE3      LYS  47  22.416  12.255  23.747
  384    HZ1  LYS  47           HZ1      LYS  47  24.129  10.494  23.738
  385    HZ2  LYS  47           HZ2      LYS  47  25.324  11.620  23.609
  386    HZ3  LYS  47           HZ3      LYS  47  24.412  11.556  24.959
  387    H    MET  48           H        MET  48  19.132  16.717  20.711
  388    HA   MET  48           HA       MET  48  16.563  15.304  20.786
  389    HB2  MET  48           HB2      MET  48  15.853  16.032  22.884
  390    HB3  MET  48           HB3      MET  48  17.461  15.402  23.166
  391    HG2  MET  48           HG2      MET  48  16.649  18.328  22.994
  392    HG3  MET  48           HG3      MET  48  17.075  17.428  24.439
  393    HE1  MET  48           HE1      MET  48  18.713  19.260  25.282
  394    HE2  MET  48           HE2      MET  48  19.916  20.048  24.243
  395    HE3  MET  48           HE3      MET  48  18.182  20.226  23.887
  396    H    SER  49           H        SER  49  14.723  16.667  20.456
  397    HA   SER  49           HA       SER  49  15.091  18.545  18.385
  398    HB2  SER  49           HB2      SER  49  12.641  18.171  20.140
  399    HB3  SER  49           HB3      SER  49  12.675  18.800  18.482
  400    HG   SER  49           HG       SER  49  12.124  16.493  18.888
  401    H    GLU  50           H        GLU  50  14.558  19.132  21.862
  402    HA   GLU  50           HA       GLU  50  13.949  21.899  21.635
  403    HB2  GLU  50           HB2      GLU  50  13.756  20.198  23.643
  404    HB3  GLU  50           HB3      GLU  50  15.360  20.812  24.083
  405    HG2  GLU  50           HG2      GLU  50  14.448  23.096  24.237
  406    HG3  GLU  50           HG3      GLU  50  12.893  22.552  23.607
  407    H    GLY  51           H        GLY  51  16.998  20.425  21.161
  408    HA2  GLY  51           HA2      GLY  51  18.894  22.103  22.228
  409    HA3  GLY  51           HA3      GLY  51  19.033  21.321  20.657
  410    H    GLU  52           H        GLU  52  16.848  22.945  19.431
  411    HA   GLU  52           HA       GLU  52  18.438  25.214  18.463
  412    HB2  GLU  52           HB2      GLU  52  15.440  24.586  18.271
  413    HB3  GLU  52           HB3      GLU  52  16.285  25.821  17.342
  414    HG2  GLU  52           HG2      GLU  52  17.675  24.030  16.280
  415    HG3  GLU  52           HG3      GLU  52  16.744  22.812  17.166
  416    H    GLN  53           H        GLN  53  15.900  24.845  20.966
  417    HA   GLN  53           HA       GLN  53  15.557  27.738  21.321
  418    HB2  GLN  53           HB2      GLN  53  14.608  25.412  23.047
  419    HB3  GLN  53           HB3      GLN  53  14.179  27.118  23.248
  420    HG2  GLN  53           HG2      GLN  53  13.325  27.060  20.824
  421    HG3  GLN  53           HG3      GLN  53  13.467  25.303  20.903
  422   HE21  GLN  53          HE21      GLN  53  11.194  27.652  21.063
  423   HE22  GLN  53          HE22      GLN  53  10.091  26.910  22.199
  424    H    LEU  54           H        LEU  54  17.501  25.139  22.779
  425    HA   LEU  54           HA       LEU  54  18.762  26.887  24.727
  426    HB2  LEU  54           HB2      LEU  54  19.704  24.212  23.648
  427    HB3  LEU  54           HB3      LEU  54  20.407  25.086  24.975
  428    HG   LEU  54           HG       LEU  54  19.188  23.444  26.046
  429   HD11  LEU  54          HD11      LEU  54  17.107  24.312  27.072
  430   HD12  LEU  54          HD12      LEU  54  18.389  25.471  27.202
  431   HD13  LEU  54          HD13      LEU  54  17.128  25.695  25.967
  432   HD21  LEU  54          HD21      LEU  54  16.758  23.887  24.343
  433   HD22  LEU  54          HD22      LEU  54  18.008  22.649  24.045
  434   HD23  LEU  54          HD23      LEU  54  17.052  22.600  25.524
  435    H    ARG  55           H        ARG  55  19.564  26.037  21.291
  436    HA   ARG  55           HA       ARG  55  21.952  27.657  21.161
  437    HB2  ARG  55           HB2      ARG  55  19.876  27.288  18.946
  438    HB3  ARG  55           HB3      ARG  55  21.490  27.949  18.765
  439    HG2  ARG  55           HG2      ARG  55  22.399  25.719  19.593
  440    HG3  ARG  55           HG3      ARG  55  20.773  25.074  19.417
  441    HD2  ARG  55           HD2      ARG  55  22.460  26.246  17.232
  442    HD3  ARG  55           HD3      ARG  55  22.155  24.533  17.485
  443    HE   ARG  55           HE       ARG  55  19.762  26.201  16.997
  444   HH11  ARG  55          HH22      ARG  55  22.398  24.693  15.160
  445   HH12  ARG  55          HH21      ARG  55  21.315  24.493  13.798
  446   HH21  ARG  55          HH12      ARG  55  18.671  26.033  15.122
  447   HH22  ARG  55          HH11      ARG  55  19.403  25.201  13.750
  448    H    GLY  56           H        GLY  56  18.529  28.582  20.865
  449    HA2  GLY  56           HA2      GLY  56  18.854  31.378  20.498
  450    HA3  GLY  56           HA3      GLY  56  17.473  30.587  21.269
  451    H    GLU  57           H        GLU  57  18.934  29.490  23.578
  452    HA   GLU  57           HA       GLU  57  19.013  31.731  25.361
  453    HB2  GLU  57           HB2      GLU  57  20.216  28.971  25.668
  454    HB3  GLU  57           HB3      GLU  57  20.254  30.203  26.906
  455    HG2  GLU  57           HG2      GLU  57  17.750  28.933  25.741
  456    HG3  GLU  57           HG3      GLU  57  18.480  28.666  27.314
  457    H    ILE  58           H        ILE  58  21.641  30.078  23.578
  458    HA   ILE  58           HA       ILE  58  23.785  31.683  24.695
  459    HB   ILE  58           HB       ILE  58  23.784  30.316  21.970
  460   HG12  ILE  58          HG12      ILE  58  24.679  29.038  24.587
  461   HG13  ILE  58          HG13      ILE  58  23.151  28.676  23.773
  462   HG21  ILE  58          HG21      ILE  58  25.653  31.935  22.491
  463   HG22  ILE  58          HG22      ILE  58  26.086  30.931  23.883
  464   HG23  ILE  58          HG23      ILE  58  26.208  30.293  22.228
  465   HD11  ILE  58          HD11      ILE  58  25.912  28.105  22.670
  466   HD12  ILE  58          HD12      ILE  58  24.697  26.946  23.226
  467   HD13  ILE  58          HD13      ILE  58  24.395  27.906  21.763
  468    H    TYR  59           H        TYR  59  21.882  31.852  21.628
  469    HA   TYR  59           HA       TYR  59  23.357  34.040  20.629
  470    HB2  TYR  59           HB2      TYR  59  21.745  32.364  19.445
  471    HB3  TYR  59           HB3      TYR  59  20.543  33.628  19.710
  472    HD1  TYR  59           HD1      TYR  59  21.188  36.038  18.931
  473    HD2  TYR  59           HD2      TYR  59  23.364  32.510  17.697
  474    HE1  TYR  59           HE1      TYR  59  22.229  37.329  17.066
  475    HE2  TYR  59           HE2      TYR  59  24.351  33.802  15.817
  476    HH   TYR  59           HH       TYR  59  23.728  37.263  15.306
  477    H    GLN  60           H        GLN  60  20.269  34.160  22.561
  478    HA   GLN  60           HA       GLN  60  20.030  37.020  22.294
  479    HB2  GLN  60           HB2      GLN  60  18.979  35.023  24.333
  480    HB3  GLN  60           HB3      GLN  60  18.619  36.744  24.450
  481    HG2  GLN  60           HG2      GLN  60  17.950  35.054  21.999
  482    HG3  GLN  60           HG3      GLN  60  16.845  35.359  23.334
  483   HE21  GLN  60          HE21      GLN  60  15.618  36.173  21.252
  484   HE22  GLN  60          HE22      GLN  60  15.831  37.892  20.918
  485    H    ALA  61           H        ALA  61  21.911  35.068  24.608
  486    HA   ALA  61           HA       ALA  61  22.534  37.387  26.278
  487    HB1  ALA  61           HB1      ALA  61  22.169  35.208  27.276
  488    HB2  ALA  61           HB2      ALA  61  23.467  34.495  26.299
  489    HB3  ALA  61           HB3      ALA  61  23.851  35.702  27.549
  490    H    TYR  62           H        TYR  62  24.262  35.566  23.750
  491    HA   TYR  62           HA       TYR  62  26.630  37.359  24.090
  492    HB2  TYR  62           HB2      TYR  62  26.581  34.499  23.095
  493    HB3  TYR  62           HB3      TYR  62  28.008  35.490  23.407
  494    HD1  TYR  62           HD2      TYR  62  28.325  36.434  25.810
  495    HD2  TYR  62           HD1      TYR  62  25.613  33.226  24.857
  496    HE1  TYR  62           HE2      TYR  62  28.109  35.895  28.227
  497    HE2  TYR  62           HE1      TYR  62  25.366  32.708  27.281
  498    HH   TYR  62           HH       TYR  62  27.174  34.528  29.773
  499    H    LYS  63           H        LYS  63  24.160  36.873  21.910
  500    HA   LYS  63           HA       LYS  63  23.779  37.204  19.733
  501    HB2  LYS  63           HB2      LYS  63  25.800  39.416  20.156
  502    HB3  LYS  63           HB3      LYS  63  24.742  39.296  18.752
  503    HG2  LYS  63           HG2      LYS  63  23.759  39.528  21.635
  504    HG3  LYS  63           HG3      LYS  63  23.890  40.847  20.487
  505    HD2  LYS  63           HD2      LYS  63  22.291  39.520  18.951
  506    HD3  LYS  63           HD3      LYS  63  22.051  38.424  20.310
  507    HE2  LYS  63           HE2      LYS  63  20.253  39.880  20.512
  508    HE3  LYS  63           HE3      LYS  63  21.422  40.471  21.705
  509    HZ1  LYS  63           HZ1      LYS  63  20.747  41.638  19.066
  510    HZ2  LYS  63           HZ2      LYS  63  20.746  42.387  20.527
  511    HZ3  LYS  63           HZ3      LYS  63  22.159  42.012  19.791
  512    H    HIS  64           H        HIS  64  25.443  35.097  20.167
  513    HA   HIS  64           HA       HIS  64  26.191  34.493  17.441
  514    HB2  HIS  64           HB2      HIS  64  28.263  35.715  18.445
  515    HB3  HIS  64           HB3      HIS  64  28.347  34.430  19.645
  516    HD1  HIS  64           HD1      HIS  64  29.096  31.964  18.662
  517    HD2  HIS  64           HD2      HIS  64  29.109  35.221  15.982
  518    HE1  HIS  64           HE1      HIS  64  30.292  31.157  16.529
  519    H    GLU  65           H        GLU  65  26.536  32.398  17.019
  520    HA   GLU  65           HA       GLU  65  24.729  30.882  18.739
  521    HB2  GLU  65           HB2      GLU  65  24.482  31.580  16.220
  522    HB3  GLU  65           HB3      GLU  65  25.548  30.321  15.893
  523    HG2  GLU  65           HG2      GLU  65  23.690  29.115  17.597
  524    HG3  GLU  65           HG3      GLU  65  22.768  30.345  16.723
  525    H    THR  66           H        THR  66  27.131  29.381  16.530
  526    HA   THR  66           HA       THR  66  28.160  27.664  18.781
  527    HB   THR  66           HB       THR  66  27.935  25.733  17.279
  528    HG1  THR  66           HG1      THR  66  26.051  27.214  15.790
  529   HG21  THR  66          HG21      THR  66  25.555  25.351  17.657
  530   HG22  THR  66          HG22      THR  66  25.262  27.084  17.871
  531   HG23  THR  66          HG23      THR  66  26.246  26.191  19.050
  532    H    VAL  67           H        VAL  67  30.086  26.687  18.464
  533    HA   VAL  67           HA       VAL  67  31.833  27.412  16.252
  534    HB   VAL  67           HB       VAL  67  33.330  28.240  18.559
  535   HG11  VAL  67          HG11      VAL  67  33.633  30.271  17.217
  536   HG12  VAL  67          HG12      VAL  67  33.774  28.816  16.224
  537   HG13  VAL  67          HG13      VAL  67  32.290  29.787  16.158
  538   HG21  VAL  67          HG21      VAL  67  30.820  29.932  18.247
  539   HG22  VAL  67          HG22      VAL  67  31.244  28.981  19.675
  540   HG23  VAL  67          HG23      VAL  67  32.261  30.334  19.181
  541    HA   PRO  68           HA       PRO  68  30.204  25.235  19.165
  542    HB2  PRO  68           HB2      PRO  68  31.002  23.804  21.353
  543    HB3  PRO  68           HB3      PRO  68  30.698  23.044  19.760
  544    HG2  PRO  68           HG2      PRO  68  33.354  23.949  20.926
  545    HG3  PRO  68           HG3      PRO  68  32.931  22.337  20.250
  546    HD2  PRO  68           HD2      PRO  68  34.152  24.167  18.717
  547    HD3  PRO  68           HD3      PRO  68  32.809  23.196  18.043
  548    H    ALA  69           H        ALA  69  29.542  25.816  21.452
  549    HA   ALA  69           HA       ALA  69  30.874  28.395  22.113
  550    HB1  ALA  69           HB1      ALA  69  28.465  28.439  21.607
  551    HB2  ALA  69           HB2      ALA  69  28.162  27.255  22.899
  552    HB3  ALA  69           HB3      ALA  69  28.760  28.875  23.302
  553    H    ILE  70           H        ILE  70  31.890  28.787  24.021
  554    HA   ILE  70           HA       ILE  70  32.223  26.507  25.927
  555    HB   ILE  70           HB       ILE  70  34.309  28.319  24.663
  556   HG12  ILE  70          HG12      ILE  70  34.333  25.307  24.372
  557   HG13  ILE  70          HG13      ILE  70  33.315  26.250  23.300
  558   HG21  ILE  70          HG21      ILE  70  35.984  26.884  25.856
  559   HG22  ILE  70          HG22      ILE  70  34.982  27.821  26.954
  560   HG23  ILE  70          HG23      ILE  70  34.650  26.091  26.720
  561   HD11  ILE  70          HD11      ILE  70  35.208  27.567  22.508
  562   HD12  ILE  70          HD12      ILE  70  36.300  26.681  23.591
  563   HD13  ILE  70          HD13      ILE  70  35.482  25.830  22.268
  564    H    PHE  71           H        PHE  71  32.305  27.021  28.064
  565    HA   PHE  71           HA       PHE  71  32.320  29.896  28.859
  566    HB2  PHE  71           HB2      PHE  71  30.476  27.674  29.806
  567    HB3  PHE  71           HB3      PHE  71  30.583  29.277  30.525
  568    HD1  PHE  71           HD2      PHE  71  29.513  27.393  27.495
  569    HD2  PHE  71           HD1      PHE  71  29.650  31.229  29.463
  570    HE1  PHE  71           HE2      PHE  71  27.925  28.329  25.811
  571    HE2  PHE  71           HE1      PHE  71  28.070  32.127  27.802
  572    HZ   PHE  71           HZ       PHE  71  27.184  30.681  25.981
  573    H    ILE  72           H        ILE  72  33.407  30.418  30.713
  574    HA   ILE  72           HA       ILE  72  34.302  28.257  32.551
  575    HB   ILE  72           HB       ILE  72  36.112  30.470  31.507
  576   HG12  ILE  72          HG12      ILE  72  35.994  27.451  31.058
  577   HG13  ILE  72          HG13      ILE  72  35.920  28.715  29.851
  578   HG21  ILE  72          HG21      ILE  72  37.841  29.377  32.962
  579   HG22  ILE  72          HG22      ILE  72  36.520  29.988  33.922
  580   HG23  ILE  72          HG23      ILE  72  36.612  28.249  33.573
  581   HD11  ILE  72          HD11      ILE  72  38.380  27.804  31.397
  582   HD12  ILE  72          HD12      ILE  72  38.035  27.645  29.669
  583   HD13  ILE  72          HD13      ILE  72  38.337  29.254  30.353
  584    H    ASN  73           H        ASN  73  33.720  28.717  34.595
  585    HA   ASN  73           HA       ASN  73  32.721  29.799  36.328
  586    HB2  ASN  73           HB2      ASN  73  34.781  31.945  35.680
  587    HB3  ASN  73           HB3      ASN  73  33.890  31.808  37.189
  588   HD21  ASN  73          HD21      ASN  73  36.725  31.856  36.942
  589   HD22  ASN  73          HD22      ASN  73  37.254  30.349  37.681
  590    H    GLY  74           H        GLY  74  31.173  30.005  34.077
  591    HA2  GLY  74           HA2      GLY  74  29.228  31.115  33.410
  592    HA3  GLY  74           HA3      GLY  74  29.582  32.416  34.509
  593    H    ASN  75           H        ASN  75  32.380  32.351  32.761
  594    HA   ASN  75           HA       ASN  75  31.431  34.568  31.044
  595    HB2  ASN  75           HB2      ASN  75  34.153  33.635  31.984
  596    HB3  ASN  75           HB3      ASN  75  33.970  34.903  30.830
  597   HD21  ASN  75          HD21      ASN  75  34.930  34.816  33.750
  598   HD22  ASN  75          HD22      ASN  75  34.014  36.141  34.478
  599    H    PHE  76           H        PHE  76  31.432  34.598  28.883
  600    HA   PHE  76           HA       PHE  76  31.626  32.081  27.454
  601    HB2  PHE  76           HB2      PHE  76  29.789  33.534  27.030
  602    HB3  PHE  76           HB3      PHE  76  30.833  34.898  26.692
  603    HD1  PHE  76           HD1      PHE  76  30.097  31.426  25.406
  604    HD2  PHE  76           HD2      PHE  76  31.336  35.450  24.470
  605    HE1  PHE  76           HE1      PHE  76  30.035  30.893  22.981
  606    HE2  PHE  76           HE2      PHE  76  31.291  34.900  22.051
  607    HZ   PHE  76           HZ       PHE  76  30.624  32.623  21.304
  608    H    ILE  77           H        ILE  77  32.909  31.398  25.947
  609    HA   ILE  77           HA       ILE  77  35.091  32.992  24.718
  610    HB   ILE  77           HB       ILE  77  35.241  30.142  25.778
  611   HG12  ILE  77          HG12      ILE  77  37.072  32.431  26.573
  612   HG13  ILE  77          HG13      ILE  77  35.591  32.085  27.461
  613   HG21  ILE  77          HG21      ILE  77  37.319  31.717  24.181
  614   HG22  ILE  77          HG22      ILE  77  37.596  30.133  24.922
  615   HG23  ILE  77          HG23      ILE  77  36.432  30.281  23.623
  616   HD11  ILE  77          HD11      ILE  77  37.889  30.127  27.131
  617   HD12  ILE  77          HD12      ILE  77  37.427  31.021  28.590
  618   HD13  ILE  77          HD13      ILE  77  36.337  29.790  27.917
  619    H    GLY  78           H        GLY  78  35.107  32.709  22.459
  620    HA2  GLY  78           HA2      GLY  78  33.612  30.323  21.388
  621    HA3  GLY  78           HA3      GLY  78  33.273  31.920  20.751
  622    H    GLY  79           H        GLY  79  34.942  29.175  20.312
  623    HA2  GLY  79           HA2      GLY  79  35.816  28.983  17.933
  624    HA3  GLY  79           HA3      GLY  79  36.921  30.283  18.383
  625    H    CYS  80           H        CYS  80  37.152  27.172  17.747
  626    HA   CYS  80           HA       CYS  80  38.305  26.056  20.158
  627    HB2  CYS  80           HB2      CYS  80  37.347  24.736  18.225
  628    HB3  CYS  80           HB3      CYS  80  38.804  25.145  17.300
  629    HG   CYS  80           HG       CYS  80  40.483  24.299  19.225
  630    H    SER  81           H        SER  81  39.763  27.713  17.307
  631    HA   SER  81           HA       SER  81  42.449  27.620  18.333
  632    HB2  SER  81           HB2      SER  81  41.921  28.114  15.987
  633    HB3  SER  81           HB3      SER  81  41.194  29.654  16.465
  634    HG   SER  81           HG       SER  81  43.202  30.147  15.916
  635    H    ASP  82           H        ASP  82  39.743  29.866  18.928
  636    HA   ASP  82           HA       ASP  82  41.125  31.818  20.462
  637    HB2  ASP  82           HB2      ASP  82  38.581  31.465  19.568
  638    HB3  ASP  82           HB3      ASP  82  38.314  31.034  21.236
  639    H    LEU  83           H        LEU  83  39.534  28.789  21.539
  640    HA   LEU  83           HA       LEU  83  40.284  28.921  24.297
  641    HB2  LEU  83           HB2      LEU  83  38.477  27.515  23.490
  642    HB3  LEU  83           HB3      LEU  83  39.564  26.642  22.416
  643    HG   LEU  83           HG       LEU  83  40.777  25.726  24.391
  644   HD11  LEU  83          HD11      LEU  83  38.495  27.006  25.964
  645   HD12  LEU  83          HD12      LEU  83  39.647  25.815  26.610
  646   HD13  LEU  83          HD13      LEU  83  40.221  27.407  26.095
  647   HD21  LEU  83          HD21      LEU  83  39.128  24.063  24.952
  648   HD22  LEU  83          HD22      LEU  83  37.802  25.120  24.418
  649   HD23  LEU  83          HD23      LEU  83  38.969  24.476  23.241
  650    H    GLU  84           H        GLU  84  41.899  27.246  21.536
  651    HA   GLU  84           HA       GLU  84  44.156  26.335  23.097
  652    HB2  GLU  84           HB2      GLU  84  43.879  26.789  20.106
  653    HB3  GLU  84           HB3      GLU  84  45.259  26.017  20.912
  654    HG2  GLU  84           HG2      GLU  84  43.787  24.283  21.843
  655    HG3  GLU  84           HG3      GLU  84  42.428  24.928  20.925
  656    H    ALA  85           H        ALA  85  43.473  29.487  21.597
  657    HA   ALA  85           HA       ALA  85  46.185  30.468  21.929
  658    HB1  ALA  85           HB1      ALA  85  44.650  31.529  20.342
  659    HB2  ALA  85           HB2      ALA  85  43.527  31.949  21.648
  660    HB3  ALA  85           HB3      ALA  85  45.138  32.691  21.586
  661    H    LEU  86           H        LEU  86  43.213  30.578  24.024
  662    HA   LEU  86           HA       LEU  86  44.408  32.047  26.171
  663    HB2  LEU  86           HB2      LEU  86  42.230  29.915  26.139
  664    HB3  LEU  86           HB3      LEU  86  42.662  30.826  27.576
  665    HG   LEU  86           HG       LEU  86  41.695  32.150  25.006
  666   HD11  LEU  86          HD11      LEU  86  39.956  30.668  25.924
  667   HD12  LEU  86          HD12      LEU  86  40.131  31.441  27.522
  668   HD13  LEU  86          HD13      LEU  86  39.533  32.372  26.132
  669   HD21  LEU  86          HD21      LEU  86  42.932  33.678  26.467
  670   HD22  LEU  86          HD22      LEU  86  41.204  34.031  26.522
  671   HD23  LEU  86          HD23      LEU  86  41.956  33.162  27.872
  672    H    ASP  87           H        ASP  87  44.510  28.579  25.440
  673    HA   ASP  87           HA       ASP  87  45.908  27.683  27.760
  674    HB2  ASP  87           HB2      ASP  87  44.781  26.224  26.102
  675    HB3  ASP  87           HB3      ASP  87  46.000  26.647  24.907
  676    H    LYS  88           H        LYS  88  47.254  28.655  24.560
  677    HA   LYS  88           HA       LYS  88  50.031  28.548  25.370
  678    HB2  LYS  88           HB2      LYS  88  48.483  29.657  23.028
  679    HB3  LYS  88           HB3      LYS  88  50.128  30.215  23.274
  680    HG2  LYS  88           HG2      LYS  88  50.011  28.360  21.697
  681    HG3  LYS  88           HG3      LYS  88  51.049  28.021  23.076
  682    HD2  LYS  88           HD2      LYS  88  49.568  26.407  23.976
  683    HD3  LYS  88           HD3      LYS  88  48.200  27.041  23.077
  684    HE2  LYS  88           HE2      LYS  88  48.742  25.012  22.028
  685    HE3  LYS  88           HE3      LYS  88  49.231  26.304  20.941
  686    HZ1  LYS  88           HZ1      LYS  88  50.851  24.440  21.202
  687    HZ2  LYS  88           HZ2      LYS  88  51.535  25.898  21.542
  688    HZ3  LYS  88           HZ3      LYS  88  51.120  24.865  22.750
  689    H    GLU  89           H        GLU  89  47.668  31.178  25.451
  690    HA   GLU  89           HA       GLU  89  49.548  33.208  26.327
  691    HB2  GLU  89           HB2      GLU  89  46.512  33.092  26.223
  692    HB3  GLU  89           HB3      GLU  89  47.433  34.530  26.677
  693    HG2  GLU  89           HG2      GLU  89  48.486  34.712  24.564
  694    HG3  GLU  89           HG3      GLU  89  47.888  33.169  24.004
  695    H    GLY  90           H        GLY  90  48.691  30.586  28.042
  696    HA2  GLY  90           HA2      GLY  90  49.144  30.055  30.224
  697    HA3  GLY  90           HA3      GLY  90  49.715  31.705  30.465
  698    H    LYS  91           H        LYS  91  46.426  31.619  29.400
  699    HA   LYS  91           HA       LYS  91  45.602  32.697  32.048
  700    HB2  LYS  91           HB2      LYS  91  44.641  32.844  29.176
  701    HB3  LYS  91           HB3      LYS  91  43.541  33.221  30.486
  702    HG2  LYS  91           HG2      LYS  91  44.978  34.972  31.339
  703    HG3  LYS  91           HG3      LYS  91  46.247  34.584  30.173
  704    HD2  LYS  91           HD2      LYS  91  43.458  35.529  29.364
  705    HD3  LYS  91           HD3      LYS  91  44.824  36.619  29.644
  706    HE2  LYS  91           HE2      LYS  91  46.150  35.447  27.925
  707    HE3  LYS  91           HE3      LYS  91  44.792  34.359  27.596
  708    HZ1  LYS  91           HZ1      LYS  91  43.499  36.358  26.947
  709    HZ2  LYS  91           HZ2      LYS  91  44.807  37.299  27.169
  710    HZ3  LYS  91           HZ3      LYS  91  44.819  36.129  25.996
  711    H    LEU  92           H        LEU  92  45.180  29.831  30.149
  712    HA   LEU  92           HA       LEU  92  42.631  29.066  31.410
  713    HB2  LEU  92           HB2      LEU  92  43.351  28.854  28.932
  714    HB3  LEU  92           HB3      LEU  92  44.465  27.613  29.453
  715    HG   LEU  92           HG       LEU  92  42.519  26.246  30.252
  716   HD11  LEU  92          HD11      LEU  92  40.266  26.832  29.427
  717   HD12  LEU  92          HD12      LEU  92  40.851  28.008  30.612
  718   HD13  LEU  92          HD13      LEU  92  40.877  28.408  28.879
  719   HD21  LEU  92          HD21      LEU  92  42.462  27.110  27.334
  720   HD22  LEU  92          HD22      LEU  92  43.494  25.855  28.044
  721   HD23  LEU  92          HD23      LEU  92  41.743  25.619  27.981
  722    H    ASP  93           H        ASP  93  45.988  28.300  31.788
  723    HA   ASP  93           HA       ASP  93  45.621  26.114  33.692
  724    HB2  ASP  93           HB2      ASP  93  47.900  27.976  32.951
  725    HB3  ASP  93           HB3      ASP  93  48.004  26.837  34.290
  726    H    GLY  94           H        GLY  94  46.151  29.654  34.075
  727    HA2  GLY  94           HA2      GLY  94  45.858  29.669  36.926
  728    HA3  GLY  94           HA3      GLY  94  45.699  31.057  35.847
  729    H    LEU  95           H        LEU  95  43.433  29.944  34.304
  730    HA   LEU  95           HA       LEU  95  41.222  30.686  35.946
  731    HB2  LEU  95           HB2      LEU  95  41.538  29.428  33.233
  732    HB3  LEU  95           HB3      LEU  95  39.955  29.407  33.976
  733    HG   LEU  95           HG       LEU  95  41.523  31.993  33.657
  734   HD11  LEU  95          HD11      LEU  95  41.104  30.976  31.426
  735   HD12  LEU  95          HD12      LEU  95  39.373  30.844  31.821
  736   HD13  LEU  95          HD13      LEU  95  40.143  32.435  31.682
  737   HD21  LEU  95          HD21      LEU  95  38.556  31.450  34.107
  738   HD22  LEU  95          HD22      LEU  95  39.689  32.078  35.317
  739   HD23  LEU  95          HD23      LEU  95  39.311  33.039  33.889
  740    H    LEU  96           H        LEU  96  42.739  27.556  35.551
  741    HA   LEU  96           HA       LEU  96  40.676  26.094  36.973
  742    HB2  LEU  96           HB2      LEU  96  43.643  25.550  36.674
  743    HB3  LEU  96           HB3      LEU  96  42.550  24.408  37.446
  744    HG   LEU  96           HG       LEU  96  42.329  25.289  34.565
  745   HD11  LEU  96          HD11      LEU  96  44.272  23.826  35.081
  746   HD12  LEU  96          HD12      LEU  96  43.236  22.739  36.020
  747   HD13  LEU  96          HD13      LEU  96  43.028  22.850  34.282
  748   HD21  LEU  96          HD21      LEU  96  40.725  23.335  34.558
  749   HD22  LEU  96          HD22      LEU  96  40.706  23.394  36.314
  750   HD23  LEU  96          HD23      LEU  96  40.108  24.778  35.359
  751    H    SER  97           H        SER  97  42.193  28.700  38.262
  752    HA   SER  97           HA       SER  97  42.710  28.037  40.991
  753    HB2  SER  97           HB2      SER  97  41.323  30.509  39.870
  754    HB3  SER  97           HB3      SER  97  41.946  30.344  41.515
  755    HG   SER  97           HG       SER  97  43.442  30.215  39.084
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  11.852  33.944  24.450
    2    H2   GLY   1           H2       GLY   1  10.552  33.200  25.158
    3    H3   GLY   1           H3       GLY   1  11.540  32.354  24.143
    4    HA2  GLY   1           HA2      GLY   1  12.013  31.743  26.395
    5    HA3  GLY   1           HA3      GLY   1  13.390  32.617  25.685
    6    H    ALA   2           H        ALA   2  11.253  32.495  28.305
    7    HA   ALA   2           HA       ALA   2  11.589  35.383  29.002
    8    HB1  ALA   2           HB1      ALA   2   9.741  34.964  30.548
    9    HB2  ALA   2           HB2      ALA   2   9.292  34.492  28.900
   10    HB3  ALA   2           HB3      ALA   2   9.715  33.246  30.098
   11    H    MET   3           H        MET   3  12.478  32.139  29.992
   12    HA   MET   3           HA       MET   3  14.091  33.222  32.265
   13    HB2  MET   3           HB2      MET   3  13.090  30.400  31.744
   14    HB3  MET   3           HB3      MET   3  14.142  30.864  33.076
   15    HG2  MET   3           HG2      MET   3  11.330  31.929  32.642
   16    HG3  MET   3           HG3      MET   3  11.783  30.643  33.757
   17    HE1  MET   3           HE1      MET   3  10.451  31.963  35.631
   18    HE2  MET   3           HE2      MET   3  10.801  33.640  36.106
   19    HE3  MET   3           HE3      MET   3  10.104  33.296  34.507
   20    HA   PRO   4           HA       PRO   4  17.598  32.424  29.790
   21    HB2  PRO   4           HB2      PRO   4  19.656  32.540  31.533
   22    HB3  PRO   4           HB3      PRO   4  18.530  33.905  31.312
   23    HG2  PRO   4           HG2      PRO   4  18.396  31.735  33.435
   24    HG3  PRO   4           HG3      PRO   4  18.393  33.513  33.686
   25    HD2  PRO   4           HD2      PRO   4  16.072  32.091  33.561
   26    HD3  PRO   4           HD3      PRO   4  16.201  33.725  32.845
   27    H    SER   5           H        SER   5  16.427  29.794  31.357
   28    HA   SER   5           HA       SER   5  16.748  27.546  31.139
   29    HB2  SER   5           HB2      SER   5  17.944  28.394  28.501
   30    HB3  SER   5           HB3      SER   5  17.169  26.872  28.806
   31    HG   SER   5           HG       SER   5  16.106  29.113  27.946
   32    H    ILE   6           H        ILE   6  19.567  27.911  29.162
   33    HA   ILE   6           HA       ILE   6  20.925  25.840  30.516
   34    HB   ILE   6           HB       ILE   6  22.623  26.022  28.921
   35   HG12  ILE   6          HG12      ILE   6  21.606  28.799  28.299
   36   HG13  ILE   6          HG13      ILE   6  23.228  28.323  28.785
   37   HG21  ILE   6          HG21      ILE   6  20.322  25.194  28.356
   38   HG22  ILE   6          HG22      ILE   6  20.114  26.719  27.442
   39   HG23  ILE   6          HG23      ILE   6  21.419  25.580  27.025
   40   HD11  ILE   6          HD11      ILE   6  21.887  27.731  26.119
   41   HD12  ILE   6          HD12      ILE   6  23.212  28.873  26.417
   42   HD13  ILE   6          HD13      ILE   6  23.475  27.121  26.577
   43    H    ALA   7           H        ALA   7  21.001  29.241  30.928
   44    HA   ALA   7           HA       ALA   7  23.582  29.892  31.688
   45    HB1  ALA   7           HB1      ALA   7  22.549  31.761  32.935
   46    HB2  ALA   7           HB2      ALA   7  21.759  31.503  31.369
   47    HB3  ALA   7           HB3      ALA   7  20.974  30.940  32.867
   48    H    SER   8           H        SER   8  21.171  28.257  33.741
   49    HA   SER   8           HA       SER   8  22.711  28.323  36.196
   50    HB2  SER   8           HB2      SER   8  20.400  26.595  35.279
   51    HB3  SER   8           HB3      SER   8  21.049  26.645  36.934
   52    HG   SER   8           HG       SER   8  19.418  28.077  36.924
   53    H    MET   9           H        MET   9  22.644  26.072  33.425
   54    HA   MET   9           HA       MET   9  24.008  23.844  34.615
   55    HB2  MET   9           HB2      MET   9  24.359  24.833  31.756
   56    HB3  MET   9           HB3      MET   9  24.600  23.211  32.378
   57    HG2  MET   9           HG2      MET   9  22.196  22.930  32.713
   58    HG3  MET   9           HG3      MET   9  21.899  24.602  32.272
   59    HE1  MET   9           HE1      MET   9  23.257  21.356  29.254
   60    HE2  MET   9           HE2      MET   9  24.429  22.094  30.363
   61    HE3  MET   9           HE3      MET   9  23.088  21.107  31.007
   62    H    ILE  10           H        ILE  10  25.147  26.882  33.158
   63    HA   ILE  10           HA       ILE  10  27.898  26.340  32.945
   64    HB   ILE  10           HB       ILE  10  26.823  29.096  33.603
   65   HG12  ILE  10          HG12      ILE  10  25.282  28.306  31.897
   66   HG13  ILE  10          HG13      ILE  10  26.385  29.474  31.212
   67   HG21  ILE  10          HG21      ILE  10  28.589  29.723  31.920
   68   HG22  ILE  10          HG22      ILE  10  29.178  29.042  33.440
   69   HG23  ILE  10          HG23      ILE  10  29.148  28.034  31.982
   70   HD11  ILE  10          HD11      ILE  10  27.678  27.619  30.145
   71   HD12  ILE  10          HD12      ILE  10  26.512  26.455  30.822
   72   HD13  ILE  10          HD13      ILE  10  25.975  27.669  29.654
   73    H    LYS  11           H        LYS  11  26.045  27.180  35.771
   74    HA   LYS  11           HA       LYS  11  28.296  27.997  37.440
   75    HB2  LYS  11           HB2      LYS  11  25.359  27.705  38.051
   76    HB3  LYS  11           HB3      LYS  11  26.596  28.538  39.018
   77    HG2  LYS  11           HG2      LYS  11  27.086  30.014  37.021
   78    HG3  LYS  11           HG3      LYS  11  25.730  29.260  36.167
   79    HD2  LYS  11           HD2      LYS  11  24.222  29.991  37.982
   80    HD3  LYS  11           HD3      LYS  11  25.605  30.895  38.677
   81    HE2  LYS  11           HE2      LYS  11  25.869  32.107  36.509
   82    HE3  LYS  11           HE3      LYS  11  24.498  31.219  35.835
   83    HZ1  LYS  11           HZ1      LYS  11  23.866  33.435  36.583
   84    HZ2  LYS  11           HZ2      LYS  11  23.072  32.316  37.495
   85    HZ3  LYS  11           HZ3      LYS  11  24.366  33.120  38.106
   86    H    GLY  12           H        GLY  12  26.807  25.010  36.664
   87    HA2  GLY  12           HA2      GLY  12  27.206  23.669  39.229
   88    HA3  GLY  12           HA3      GLY  12  26.587  22.970  37.735
   89    H    ASN  13           H        ASN  13  29.270  24.139  36.457
   90    HA   ASN  13           HA       ASN  13  31.250  22.209  37.581
   91    HB2  ASN  13           HB2      ASN  13  30.718  22.541  34.600
   92    HB3  ASN  13           HB3      ASN  13  31.884  21.462  35.349
   93   HD21  ASN  13          HD21      ASN  13  30.847  19.747  36.901
   94   HD22  ASN  13          HD22      ASN  13  29.414  18.997  36.197
   95    H    LYS  14           H        LYS  14  33.478  22.654  36.804
   96    HA   LYS  14           HA       LYS  14  34.131  25.484  36.891
   97    HB2  LYS  14           HB2      LYS  14  35.536  23.426  37.596
   98    HB3  LYS  14           HB3      LYS  14  35.886  23.222  35.890
   99    HG2  LYS  14           HG2      LYS  14  37.698  24.486  36.396
  100    HG3  LYS  14           HG3      LYS  14  36.576  25.790  35.993
  101    HD2  LYS  14           HD2      LYS  14  37.631  26.437  38.013
  102    HD3  LYS  14           HD3      LYS  14  36.005  25.909  38.461
  103    HE2  LYS  14           HE2      LYS  14  36.988  23.643  39.069
  104    HE3  LYS  14           HE3      LYS  14  38.597  24.304  38.748
  105    HZ1  LYS  14           HZ1      LYS  14  38.186  25.953  40.469
  106    HZ2  LYS  14           HZ2      LYS  14  36.672  25.358  40.730
  107    HZ3  LYS  14           HZ3      LYS  14  37.982  24.426  41.102
  108    H    VAL  15           H        VAL  15  34.205  23.067  34.210
  109    HA   VAL  15           HA       VAL  15  33.895  25.324  32.272
  110    HB   VAL  15           HB       VAL  15  35.314  22.678  31.805
  111   HG11  VAL  15          HG11      VAL  15  34.290  23.454  29.733
  112   HG12  VAL  15          HG12      VAL  15  34.887  25.096  29.998
  113   HG13  VAL  15          HG13      VAL  15  36.020  23.775  29.667
  114   HG21  VAL  15          HG21      VAL  15  36.731  24.014  33.186
  115   HG22  VAL  15          HG22      VAL  15  37.313  24.259  31.526
  116   HG23  VAL  15          HG23      VAL  15  36.308  25.486  32.300
  117    H    VAL  16           H        VAL  16  32.296  25.288  30.827
  118    HA   VAL  16           HA       VAL  16  30.677  22.811  30.472
  119    HB   VAL  16           HB       VAL  16  29.482  25.552  30.982
  120   HG11  VAL  16          HG11      VAL  16  27.331  24.252  30.980
  121   HG12  VAL  16          HG12      VAL  16  28.101  24.267  29.387
  122   HG13  VAL  16          HG13      VAL  16  28.214  22.822  30.423
  123   HG21  VAL  16          HG21      VAL  16  30.230  24.561  33.084
  124   HG22  VAL  16          HG22      VAL  16  28.491  24.293  32.974
  125   HG23  VAL  16          HG23      VAL  16  29.590  22.967  32.608
  126    H    VAL  17           H        VAL  17  30.306  22.313  28.402
  127    HA   VAL  17           HA       VAL  17  30.761  24.349  26.253
  128    HB   VAL  17           HB       VAL  17  31.754  21.488  26.551
  129   HG11  VAL  17          HG11      VAL  17  31.799  23.185  24.007
  130   HG12  VAL  17          HG12      VAL  17  32.705  21.678  24.257
  131   HG13  VAL  17          HG13      VAL  17  30.951  21.634  24.214
  132   HG21  VAL  17          HG21      VAL  17  33.913  22.540  26.053
  133   HG22  VAL  17          HG22      VAL  17  33.124  24.123  25.951
  134   HG23  VAL  17          HG23      VAL  17  33.173  23.245  27.498
  135    H    PHE  18           H        PHE  18  29.532  24.224  24.394
  136    HA   PHE  18           HA       PHE  18  27.311  22.199  24.358
  137    HB2  PHE  18           HB2      PHE  18  27.227  25.029  23.276
  138    HB3  PHE  18           HB3      PHE  18  25.951  23.826  23.154
  139    HD1  PHE  18           HD2      PHE  18  24.692  23.092  25.197
  140    HD2  PHE  18           HD1      PHE  18  27.605  26.265  25.341
  141    HE1  PHE  18           HE2      PHE  18  23.796  23.822  27.405
  142    HE2  PHE  18           HE1      PHE  18  26.709  26.985  27.538
  143    HZ   PHE  18           HZ       PHE  18  24.793  25.786  28.560
  144    H    SER  19           H        SER  19  27.445  20.787  22.772
  145    HA   SER  19           HA       SER  19  28.985  21.415  20.293
  146    HB2  SER  19           HB2      SER  19  29.177  18.905  22.006
  147    HB3  SER  19           HB3      SER  19  29.817  19.030  20.352
  148    HG   SER  19           HG       SER  19  31.411  19.381  21.790
  149    H    TRP  20           H        TRP  20  28.683  19.832  18.577
  150    HA   TRP  20           HA       TRP  20  25.988  18.540  18.468
  151    HB2  TRP  20           HB2      TRP  20  27.331  20.408  16.542
  152    HB3  TRP  20           HB3      TRP  20  26.581  18.977  15.866
  153    HD1  TRP  20           HD1      TRP  20  24.494  20.227  18.684
  154    HE1  TRP  20           HE1      TRP  20  22.342  21.278  17.671
  155    HE3  TRP  20           HE3      TRP  20  25.958  20.629  13.787
  156    HZ2  TRP  20           HZ2      TRP  20  21.483  22.325  15.150
  157    HZ3  TRP  20           HZ3      TRP  20  24.458  21.674  12.106
  158    HH2  TRP  20           HH2      TRP  20  22.225  22.530  12.776
  159    H    VAL  21           H        VAL  21  26.104  16.420  18.124
  160    HA   VAL  21           HA       VAL  21  28.590  15.187  17.149
  161    HB   VAL  21           HB       VAL  21  27.274  13.056  17.283
  162   HG11  VAL  21          HG11      VAL  21  27.761  14.645  19.832
  163   HG12  VAL  21          HG12      VAL  21  27.640  12.876  19.704
  164   HG13  VAL  21          HG13      VAL  21  28.972  13.725  18.915
  165   HG21  VAL  21          HG21      VAL  21  25.389  14.673  19.067
  166   HG22  VAL  21          HG22      VAL  21  24.956  14.077  17.451
  167   HG23  VAL  21          HG23      VAL  21  25.349  12.931  18.731
  168    H    THR  22           H        THR  22  27.467  14.910  13.731
  169    HA   THR  22           HA       THR  22  29.790  15.091  15.629
  170    HB   THR  22           HB       THR  22  31.081  13.927  13.948
  171    HG1  THR  22           HG1      THR  22  28.588  13.624  12.622
  172   HG21  THR  22          HG21      THR  22  28.570  12.349  14.657
  173   HG22  THR  22          HG22      THR  22  29.958  12.611  15.734
  174   HG23  THR  22          HG23      THR  22  30.166  11.698  14.234
  175    H    CYS  23           H        CYS  23  31.079  16.836  15.480
  176    HA   CYS  23           HA       CYS  23  30.979  18.545  13.023
  177    HB2  CYS  23           HB2      CYS  23  30.424  19.337  15.875
  178    HB3  CYS  23           HB3      CYS  23  31.021  20.502  14.679
  179    HG   CYS  23           HG       CYS  23  28.424  18.497  14.400
  180    HA   PRO  24           HA       PRO  24  35.347  17.858  13.558
  181    HB2  PRO  24           HB2      PRO  24  35.464  19.979  11.398
  182    HB3  PRO  24           HB3      PRO  24  36.424  18.470  11.552
  183    HG2  PRO  24           HG2      PRO  24  34.294  18.461   9.930
  184    HG3  PRO  24           HG3      PRO  24  34.493  17.115  11.090
  185    HD2  PRO  24           HD2      PRO  24  32.763  19.599  11.382
  186    HD3  PRO  24           HD3      PRO  24  32.334  17.880  11.633
  187    H    TYR  25           H        TYR  25  34.002  21.060  14.161
  188    HA   TYR  25           HA       TYR  25  36.484  22.037  15.449
  189    HB2  TYR  25           HB2      TYR  25  33.535  22.852  15.566
  190    HB3  TYR  25           HB3      TYR  25  34.807  23.731  16.396
  191    HD1  TYR  25           HD2      TYR  25  36.941  23.623  14.122
  192    HD2  TYR  25           HD1      TYR  25  32.798  24.832  14.322
  193    HE1  TYR  25           HE2      TYR  25  37.332  25.346  12.380
  194    HE2  TYR  25           HE1      TYR  25  33.215  26.563  12.581
  195    HH   TYR  25           HH       TYR  25  34.785  27.586  11.222
  196    H    CYS  26           H        CYS  26  33.502  20.505  16.563
  197    HA   CYS  26           HA       CYS  26  33.672  21.272  19.286
  198    HB2  CYS  26           HB2      CYS  26  32.348  19.160  17.631
  199    HB3  CYS  26           HB3      CYS  26  32.309  18.975  19.361
  200    HG   CYS  26           HG       CYS  26  31.096  21.143  19.899
  201    H    VAL  27           H        VAL  27  34.750  18.330  17.709
  202    HA   VAL  27           HA       VAL  27  36.023  16.803  19.604
  203    HB   VAL  27           HB       VAL  27  35.742  16.454  17.342
  204   HG11  VAL  27          HG11      VAL  27  37.939  18.018  16.334
  205   HG12  VAL  27          HG12      VAL  27  36.757  17.013  15.486
  206   HG13  VAL  27          HG13      VAL  27  36.181  18.440  16.354
  207   HG21  VAL  27          HG21      VAL  27  37.445  15.057  18.588
  208   HG22  VAL  27          HG22      VAL  27  37.760  15.105  16.843
  209   HG23  VAL  27          HG23      VAL  27  38.708  16.128  17.944
  210    H    ARG  28           H        ARG  28  37.389  19.147  17.685
  211    HA   ARG  28           HA       ARG  28  40.028  19.276  18.723
  212    HB2  ARG  28           HB2      ARG  28  38.783  21.923  17.879
  213    HB3  ARG  28           HB3      ARG  28  40.477  21.449  17.855
  214    HG2  ARG  28           HG2      ARG  28  39.669  19.592  16.181
  215    HG3  ARG  28           HG3      ARG  28  38.245  20.666  16.017
  216    HD2  ARG  28           HD2      ARG  28  39.601  22.481  15.238
  217    HD3  ARG  28           HD3      ARG  28  41.101  21.579  15.574
  218    HE   ARG  28           HE       ARG  28  39.586  19.948  13.868
  219   HH11  ARG  28          HH12      ARG  28  41.126  23.081  13.506
  220   HH12  ARG  28          HH11      ARG  28  41.412  22.793  11.800
  221   HH21  ARG  28          HH22      ARG  28  39.874  19.700  11.817
  222   HH22  ARG  28          HH21      ARG  28  40.631  20.959  10.829
  223    H    ALA  29           H        ALA  29  37.340  21.209  19.985
  224    HA   ALA  29           HA       ALA  29  38.871  22.269  22.235
  225    HB1  ALA  29           HB1      ALA  29  36.669  23.048  23.026
  226    HB2  ALA  29           HB2      ALA  29  36.957  23.498  21.330
  227    HB3  ALA  29           HB3      ALA  29  35.873  22.141  21.723
  228    H    GLU  30           H        GLU  30  36.341  19.678  21.964
  229    HA   GLU  30           HA       GLU  30  36.323  18.964  24.722
  230    HB2  GLU  30           HB2      GLU  30  35.745  17.288  22.230
  231    HB3  GLU  30           HB3      GLU  30  35.390  16.784  23.884
  232    HG2  GLU  30           HG2      GLU  30  33.802  18.636  24.164
  233    HG3  GLU  30           HG3      GLU  30  34.148  19.229  22.537
  234    H    LYS  31           H        LYS  31  38.510  17.858  22.209
  235    HA   LYS  31           HA       LYS  31  39.761  15.842  23.830
  236    HB2  LYS  31           HB2      LYS  31  39.779  15.800  21.387
  237    HB3  LYS  31           HB3      LYS  31  40.580  17.361  21.316
  238    HG2  LYS  31           HG2      LYS  31  42.134  15.395  22.849
  239    HG3  LYS  31           HG3      LYS  31  41.765  14.800  21.242
  240    HD2  LYS  31           HD2      LYS  31  43.191  17.395  21.924
  241    HD3  LYS  31           HD3      LYS  31  43.934  15.934  21.282
  242    HE2  LYS  31           HE2      LYS  31  41.890  17.658  19.803
  243    HE3  LYS  31           HE3      LYS  31  43.640  17.738  19.597
  244    HZ1  LYS  31           HZ1      LYS  31  42.609  16.400  17.903
  245    HZ2  LYS  31           HZ2      LYS  31  43.581  15.419  18.805
  246    HZ3  LYS  31           HZ3      LYS  31  41.948  15.364  18.988
  247    H    LEU  32           H        LEU  32  40.683  19.149  23.011
  248    HA   LEU  32           HA       LEU  32  43.126  19.410  24.448
  249    HB2  LEU  32           HB2      LEU  32  42.136  20.698  22.565
  250    HB3  LEU  32           HB3      LEU  32  41.006  21.405  23.722
  251    HG   LEU  32           HG       LEU  32  42.720  22.907  23.030
  252   HD11  LEU  32          HD11      LEU  32  41.811  23.148  25.337
  253   HD12  LEU  32          HD12      LEU  32  43.266  22.319  25.946
  254   HD13  LEU  32          HD13      LEU  32  43.415  23.858  25.095
  255   HD21  LEU  32          HD21      LEU  32  45.055  22.726  23.541
  256   HD22  LEU  32          HD22      LEU  32  44.805  21.146  24.337
  257   HD23  LEU  32          HD23      LEU  32  44.540  21.322  22.589
  258    H    LEU  33           H        LEU  33  39.751  20.119  25.435
  259    HA   LEU  33           HA       LEU  33  40.390  21.221  27.983
  260    HB2  LEU  33           HB2      LEU  33  37.922  19.777  26.884
  261    HB3  LEU  33           HB3      LEU  33  37.910  20.545  28.461
  262    HG   LEU  33           HG       LEU  33  38.476  22.002  25.864
  263   HD11  LEU  33          HD11      LEU  33  36.311  22.918  25.890
  264   HD12  LEU  33          HD12      LEU  33  36.159  21.158  25.951
  265   HD13  LEU  33          HD13      LEU  33  35.918  22.135  27.427
  266   HD21  LEU  33          HD21      LEU  33  39.436  23.212  27.751
  267   HD22  LEU  33          HD22      LEU  33  37.969  24.044  27.219
  268   HD23  LEU  33          HD23      LEU  33  37.914  23.021  28.661
  269    H    HIS  34           H        HIS  34  39.676  17.825  27.138
  270    HA   HIS  34           HA       HIS  34  40.196  16.871  29.830
  271    HB2  HIS  34           HB2      HIS  34  39.914  15.570  27.114
  272    HB3  HIS  34           HB3      HIS  34  40.540  14.667  28.483
  273    HD1  HIS  34           HD1      HIS  34  38.831  13.681  30.161
  274    HD2  HIS  34           HD2      HIS  34  37.252  16.558  27.525
  275    HE1  HIS  34           HE1      HIS  34  36.296  13.586  30.419
  276    H    ALA  35           H        ALA  35  42.329  17.568  27.012
  277    HA   ALA  35           HA       ALA  35  44.593  16.137  28.097
  278    HB1  ALA  35           HB1      ALA  35  45.865  17.336  26.419
  279    HB2  ALA  35           HB2      ALA  35  44.325  16.813  25.715
  280    HB3  ALA  35           HB3      ALA  35  44.560  18.509  26.182
  281    H    ARG  36           H        ARG  36  43.431  19.446  28.483
  282    HA   ARG  36           HA       ARG  36  45.696  20.272  30.221
  283    HB2  ARG  36           HB2      ARG  36  43.425  21.638  28.779
  284    HB3  ARG  36           HB3      ARG  36  44.189  22.427  30.143
  285    HG2  ARG  36           HG2      ARG  36  45.120  23.230  28.106
  286    HG3  ARG  36           HG3      ARG  36  46.320  22.512  29.180
  287    HD2  ARG  36           HD2      ARG  36  46.473  20.535  27.783
  288    HD3  ARG  36           HD3      ARG  36  45.146  21.106  26.752
  289    HE   ARG  36           HE       ARG  36  46.977  23.206  26.763
  290   HH11  ARG  36          HH12      ARG  36  47.650  19.852  25.926
  291   HH12  ARG  36          HH11      ARG  36  48.558  20.363  24.506
  292   HH21  ARG  36          HH22      ARG  36  48.265  23.697  25.322
  293   HH22  ARG  36          HH21      ARG  36  49.164  22.503  24.385
  294    H    THR  37           H        THR  37  43.266  18.473  30.976
  295    HA   THR  37           HA       THR  37  42.458  17.732  32.952
  296    HB   THR  37           HB       THR  37  43.606  19.829  34.664
  297    HG1  THR  37           HG1      THR  37  45.409  19.638  33.462
  298   HG21  THR  37          HG21      THR  37  44.368  17.780  35.953
  299   HG22  THR  37          HG22      THR  37  43.666  16.757  34.689
  300   HG23  THR  37          HG23      THR  37  42.621  17.801  35.675
  301    H    LYS  38           H        LYS  38  40.968  19.897  31.474
  302    HA   LYS  38           HA       LYS  38  39.906  21.602  33.621
  303    HB2  LYS  38           HB2      LYS  38  38.691  21.051  30.888
  304    HB3  LYS  38           HB3      LYS  38  38.182  22.247  32.056
  305    HG2  LYS  38           HG2      LYS  38  40.638  22.179  30.288
  306    HG3  LYS  38           HG3      LYS  38  39.374  23.381  30.312
  307    HD2  LYS  38           HD2      LYS  38  40.528  24.727  31.677
  308    HD3  LYS  38           HD3      LYS  38  40.718  23.453  32.876
  309    HE2  LYS  38           HE2      LYS  38  42.502  22.454  31.345
  310    HE3  LYS  38           HE3      LYS  38  42.406  23.927  30.387
  311    HZ1  LYS  38           HZ1      LYS  38  43.058  25.067  32.642
  312    HZ2  LYS  38           HZ2      LYS  38  43.619  23.545  33.033
  313    HZ3  LYS  38           HZ3      LYS  38  44.191  24.304  31.767
  314    H    ASP  39           H        ASP  39  38.734  20.799  35.186
  315    HA   ASP  39           HA       ASP  39  36.891  18.685  35.022
  316    HB2  ASP  39           HB2      ASP  39  37.480  19.697  37.152
  317    HB3  ASP  39           HB3      ASP  39  36.779  21.236  36.682
  318    H    ILE  40           H        ILE  40  35.720  18.489  33.285
  319    HA   ILE  40           HA       ILE  40  34.191  20.792  32.208
  320    HB   ILE  40           HB       ILE  40  36.318  20.216  31.127
  321   HG12  ILE  40          HG12      ILE  40  33.865  20.862  29.864
  322   HG13  ILE  40          HG13      ILE  40  35.508  21.299  29.454
  323   HG21  ILE  40          HG21      ILE  40  36.666  18.258  29.793
  324   HG22  ILE  40          HG22      ILE  40  36.248  17.743  31.419
  325   HG23  ILE  40          HG23      ILE  40  35.036  17.646  30.140
  326   HD11  ILE  40          HD11      ILE  40  35.719  19.433  27.921
  327   HD12  ILE  40          HD12      ILE  40  34.108  18.819  28.402
  328   HD13  ILE  40          HD13      ILE  40  34.265  20.363  27.554
  329    H    THR  41           H        THR  41  32.215  20.659  31.496
  330    HA   THR  41           HA       THR  41  30.931  17.999  30.985
  331    HB   THR  41           HB       THR  41  29.821  20.522  32.226
  332    HG1  THR  41           HG1      THR  41  29.312  19.175  33.799
  333   HG21  THR  41          HG21      THR  41  28.138  19.974  30.582
  334   HG22  THR  41          HG22      THR  41  27.576  19.422  32.159
  335   HG23  THR  41          HG23      THR  41  28.218  18.238  30.998
  336    H    VAL  42           H        VAL  42  30.339  17.722  28.856
  337    HA   VAL  42           HA       VAL  42  29.634  20.150  27.310
  338    HB   VAL  42           HB       VAL  42  31.430  19.533  26.193
  339   HG11  VAL  42          HG11      VAL  42  32.266  17.346  25.639
  340   HG12  VAL  42          HG12      VAL  42  32.275  17.834  27.331
  341   HG13  VAL  42          HG13      VAL  42  31.041  16.657  26.746
  342   HG21  VAL  42          HG21      VAL  42  29.423  17.786  24.763
  343   HG22  VAL  42          HG22      VAL  42  29.556  19.554  24.598
  344   HG23  VAL  42          HG23      VAL  42  30.882  18.514  24.072
  345    H    HIS  43           H        HIS  43  27.752  20.289  26.362
  346    HA   HIS  43           HA       HIS  43  25.856  18.014  26.641
  347    HB2  HIS  43           HB2      HIS  43  25.378  20.159  27.839
  348    HB3  HIS  43           HB3      HIS  43  25.280  20.966  26.282
  349    HD1  HIS  43           HD1      HIS  43  23.617  17.485  26.723
  350    HD2  HIS  43           HD2      HIS  43  22.705  21.606  26.681
  351    HE1  HIS  43           HE1      HIS  43  21.077  17.677  26.702
  352    H    TYR  44           H        TYR  44  25.129  17.013  24.906
  353    HA   TYR  44           HA       TYR  44  25.845  17.954  22.183
  354    HB2  TYR  44           HB2      TYR  44  24.826  15.309  23.280
  355    HB3  TYR  44           HB3      TYR  44  25.232  15.587  21.603
  356    HD1  TYR  44           HD2      TYR  44  27.772  16.846  21.433
  357    HD2  TYR  44           HD1      TYR  44  26.416  14.186  24.549
  358    HE1  TYR  44           HE2      TYR  44  30.122  16.495  22.150
  359    HE2  TYR  44           HE1      TYR  44  28.761  13.818  25.248
  360    HH   TYR  44           HH       TYR  44  31.532  15.499  23.700
  361    H    VAL  45           H        VAL  45  24.295  19.677  22.146
  362    HA   VAL  45           HA       VAL  45  21.560  19.270  22.717
  363    HB   VAL  45           HB       VAL  45  21.136  21.438  21.670
  364   HG11  VAL  45          HG11      VAL  45  23.676  21.428  23.344
  365   HG12  VAL  45          HG12      VAL  45  22.523  22.766  23.152
  366   HG13  VAL  45          HG13      VAL  45  22.017  21.279  23.969
  367   HG21  VAL  45          HG21      VAL  45  22.601  21.376  19.746
  368   HG22  VAL  45          HG22      VAL  45  22.966  22.783  20.746
  369   HG23  VAL  45          HG23      VAL  45  24.047  21.381  20.793
  370    H    ASP  46           H        ASP  46  23.141  18.308  19.829
  371    HA   ASP  46           HA       ASP  46  20.927  18.132  18.012
  372    HB2  ASP  46           HB2      ASP  46  23.353  17.914  17.440
  373    HB3  ASP  46           HB3      ASP  46  23.420  16.393  18.322
  374    H    LYS  47           H        LYS  47  21.576  16.330  20.900
  375    HA   LYS  47           HA       LYS  47  20.349  13.785  20.230
  376    HB2  LYS  47           HB2      LYS  47  21.060  15.191  22.828
  377    HB3  LYS  47           HB3      LYS  47  20.455  13.535  22.767
  378    HG2  LYS  47           HG2      LYS  47  22.944  14.404  21.251
  379    HG3  LYS  47           HG3      LYS  47  22.943  13.997  22.960
  380    HD2  LYS  47           HD2      LYS  47  22.126  11.711  22.449
  381    HD3  LYS  47           HD3      LYS  47  22.040  12.137  20.728
  382    HE2  LYS  47           HE2      LYS  47  24.534  12.731  20.891
  383    HE3  LYS  47           HE3      LYS  47  24.530  11.981  22.493
  384    HZ1  LYS  47           HZ1      LYS  47  23.841   9.892  21.420
  385    HZ2  LYS  47           HZ2      LYS  47  23.789  10.631  19.958
  386    HZ3  LYS  47           HZ3      LYS  47  25.225  10.437  20.716
  387    H    MET  48           H        MET  48  19.022  16.808  21.367
  388    HA   MET  48           HA       MET  48  16.300  15.602  21.301
  389    HB2  MET  48           HB2      MET  48  15.679  16.432  23.469
  390    HB3  MET  48           HB3      MET  48  17.117  15.433  23.619
  391    HG2  MET  48           HG2      MET  48  18.479  17.607  23.610
  392    HG3  MET  48           HG3      MET  48  16.934  18.460  23.743
  393    HE1  MET  48           HE1      MET  48  18.944  19.213  25.774
  394    HE2  MET  48           HE2      MET  48  17.244  19.673  26.025
  395    HE3  MET  48           HE3      MET  48  18.175  18.958  27.357
  396    H    SER  49           H        SER  49  14.530  16.963  20.977
  397    HA   SER  49           HA       SER  49  14.872  19.073  19.148
  398    HB2  SER  49           HB2      SER  49  12.460  18.600  20.934
  399    HB3  SER  49           HB3      SER  49  12.479  19.414  19.365
  400    HG   SER  49           HG       SER  49  12.987  17.481  18.371
  401    H    GLU  50           H        GLU  50  14.405  19.319  22.685
  402    HA   GLU  50           HA       GLU  50  14.120  22.136  22.825
  403    HB2  GLU  50           HB2      GLU  50  14.775  19.956  24.699
  404    HB3  GLU  50           HB3      GLU  50  15.739  21.400  25.063
  405    HG2  GLU  50           HG2      GLU  50  13.818  21.644  26.371
  406    HG3  GLU  50           HG3      GLU  50  13.569  22.745  25.022
  407    H    GLY  51           H        GLY  51  16.951  20.402  21.887
  408    HA2  GLY  51           HA2      GLY  51  19.089  22.024  22.675
  409    HA3  GLY  51           HA3      GLY  51  18.977  21.108  21.170
  410    H    GLU  52           H        GLU  52  16.655  22.723  20.103
  411    HA   GLU  52           HA       GLU  52  18.009  24.845  18.856
  412    HB2  GLU  52           HB2      GLU  52  16.075  23.342  18.105
  413    HB3  GLU  52           HB3      GLU  52  15.018  24.212  19.241
  414    HG2  GLU  52           HG2      GLU  52  15.525  26.287  18.110
  415    HG3  GLU  52           HG3      GLU  52  16.678  25.437  17.059
  416    H    GLN  53           H        GLN  53  15.978  24.729  21.834
  417    HA   GLN  53           HA       GLN  53  15.894  27.657  22.106
  418    HB2  GLN  53           HB2      GLN  53  14.096  26.223  22.996
  419    HB3  GLN  53           HB3      GLN  53  15.236  25.560  24.171
  420    HG2  GLN  53           HG2      GLN  53  13.858  27.409  25.063
  421    HG3  GLN  53           HG3      GLN  53  15.570  27.759  25.184
  422   HE21  GLN  53          HE21      GLN  53  15.615  30.047  25.048
  423   HE22  GLN  53          HE22      GLN  53  14.955  30.900  23.645
  424    H    LEU  54           H        LEU  54  17.879  24.954  23.373
  425    HA   LEU  54           HA       LEU  54  19.465  26.648  25.103
  426    HB2  LEU  54           HB2      LEU  54  20.142  23.973  23.826
  427    HB3  LEU  54           HB3      LEU  54  21.089  24.774  25.063
  428    HG   LEU  54           HG       LEU  54  20.003  23.701  26.640
  429   HD11  LEU  54          HD11      LEU  54  18.340  25.610  26.759
  430   HD12  LEU  54          HD12      LEU  54  17.244  24.580  25.806
  431   HD13  LEU  54          HD13      LEU  54  17.835  24.070  27.401
  432   HD21  LEU  54          HD21      LEU  54  19.772  21.944  25.075
  433   HD22  LEU  54          HD22      LEU  54  18.476  21.964  26.286
  434   HD23  LEU  54          HD23      LEU  54  18.147  22.544  24.646
  435    H    ARG  55           H        ARG  55  19.852  25.717  21.667
  436    HA   ARG  55           HA       ARG  55  22.158  27.381  21.104
  437    HB2  ARG  55           HB2      ARG  55  19.831  26.320  19.449
  438    HB3  ARG  55           HB3      ARG  55  21.071  27.351  18.737
  439    HG2  ARG  55           HG2      ARG  55  22.777  25.776  19.042
  440    HG3  ARG  55           HG3      ARG  55  21.902  24.893  20.291
  441    HD2  ARG  55           HD2      ARG  55  22.009  23.583  18.254
  442    HD3  ARG  55           HD3      ARG  55  20.350  24.001  18.668
  443    HE   ARG  55           HE       ARG  55  21.778  25.688  16.632
  444   HH11  ARG  55          HH12      ARG  55  19.559  23.011  17.028
  445   HH12  ARG  55          HH11      ARG  55  18.586  23.502  15.655
  446   HH21  ARG  55          HH22      ARG  55  20.793  26.045  14.814
  447   HH22  ARG  55          HH21      ARG  55  19.351  25.163  14.314
  448    H    GLY  56           H        GLY  56  18.667  28.124  21.081
  449    HA2  GLY  56           HA2      GLY  56  18.770  30.791  20.189
  450    HA3  GLY  56           HA3      GLY  56  17.532  30.109  21.252
  451    H    GLU  57           H        GLU  57  19.036  29.616  23.623
  452    HA   GLU  57           HA       GLU  57  19.237  32.181  24.844
  453    HB2  GLU  57           HB2      GLU  57  20.677  29.644  25.643
  454    HB3  GLU  57           HB3      GLU  57  20.555  31.095  26.607
  455    HG2  GLU  57           HG2      GLU  57  18.523  28.938  26.210
  456    HG3  GLU  57           HG3      GLU  57  19.110  29.803  27.602
  457    H    ILE  58           H        ILE  58  21.793  30.257  23.252
  458    HA   ILE  58           HA       ILE  58  23.947  32.092  23.938
  459    HB   ILE  58           HB       ILE  58  23.881  30.083  21.656
  460   HG12  ILE  58          HG12      ILE  58  25.002  29.605  24.459
  461   HG13  ILE  58          HG13      ILE  58  23.427  29.018  23.934
  462   HG21  ILE  58          HG21      ILE  58  26.318  30.198  21.765
  463   HG22  ILE  58          HG22      ILE  58  25.712  31.836  21.612
  464   HG23  ILE  58          HG23      ILE  58  26.254  31.254  23.194
  465   HD11  ILE  58          HD11      ILE  58  24.978  27.216  23.745
  466   HD12  ILE  58          HD12      ILE  58  24.517  27.717  22.108
  467   HD13  ILE  58          HD13      ILE  58  26.101  28.179  22.775
  468    H    TYR  59           H        TYR  59  21.920  31.582  20.986
  469    HA   TYR  59           HA       TYR  59  23.212  33.585  19.479
  470    HB2  TYR  59           HB2      TYR  59  21.485  31.716  18.797
  471    HB3  TYR  59           HB3      TYR  59  20.298  32.994  19.003
  472    HD1  TYR  59           HD1      TYR  59  20.556  35.148  17.550
  473    HD2  TYR  59           HD2      TYR  59  23.012  31.666  17.036
  474    HE1  TYR  59           HE1      TYR  59  21.248  35.950  15.276
  475    HE2  TYR  59           HE2      TYR  59  23.712  32.444  14.794
  476    HH   TYR  59           HH       TYR  59  23.658  34.167  13.333
  477    H    GLN  60           H        GLN  60  20.311  33.908  21.569
  478    HA   GLN  60           HA       GLN  60  19.787  36.621  20.853
  479    HB2  GLN  60           HB2      GLN  60  19.113  34.988  23.331
  480    HB3  GLN  60           HB3      GLN  60  18.494  36.621  23.050
  481    HG2  GLN  60           HG2      GLN  60  18.081  34.329  21.082
  482    HG3  GLN  60           HG3      GLN  60  16.940  34.751  22.353
  483   HE21  GLN  60          HE21      GLN  60  15.978  36.909  22.330
  484   HE22  GLN  60          HE22      GLN  60  15.851  37.807  20.835
  485    H    ALA  61           H        ALA  61  22.107  35.314  23.213
  486    HA   ALA  61           HA       ALA  61  22.734  38.004  24.257
  487    HB1  ALA  61           HB1      ALA  61  23.934  35.250  24.733
  488    HB2  ALA  61           HB2      ALA  61  24.453  36.740  25.550
  489    HB3  ALA  61           HB3      ALA  61  22.805  36.131  25.781
  490    H    TYR  62           H        TYR  62  24.321  35.603  22.086
  491    HA   TYR  62           HA       TYR  62  26.605  37.489  21.720
  492    HB2  TYR  62           HB2      TYR  62  26.530  34.463  21.545
  493    HB3  TYR  62           HB3      TYR  62  27.953  35.474  21.389
  494    HD1  TYR  62           HD1      TYR  62  28.713  36.893  23.400
  495    HD2  TYR  62           HD2      TYR  62  25.847  33.690  23.695
  496    HE1  TYR  62           HE1      TYR  62  29.156  36.721  25.840
  497    HE2  TYR  62           HE2      TYR  62  26.286  33.520  26.137
  498    HH   TYR  62           HH       TYR  62  28.675  35.634  27.775
  499    H    LYS  63           H        LYS  63  24.013  36.396  19.905
  500    HA   LYS  63           HA       LYS  63  23.512  36.016  17.788
  501    HB2  LYS  63           HB2      LYS  63  25.694  38.022  17.140
  502    HB3  LYS  63           HB3      LYS  63  24.376  37.552  16.076
  503    HG2  LYS  63           HG2      LYS  63  24.060  39.046  18.710
  504    HG3  LYS  63           HG3      LYS  63  23.990  39.729  17.089
  505    HD2  LYS  63           HD2      LYS  63  22.004  38.173  16.621
  506    HD3  LYS  63           HD3      LYS  63  22.033  37.769  18.336
  507    HE2  LYS  63           HE2      LYS  63  20.431  39.439  18.262
  508    HE3  LYS  63           HE3      LYS  63  21.874  40.318  18.784
  509    HZ1  LYS  63           HZ1      LYS  63  22.161  41.028  16.451
  510    HZ2  LYS  63           HZ2      LYS  63  20.820  40.181  16.013
  511    HZ3  LYS  63           HZ3      LYS  63  20.677  41.478  17.002
  512    H    HIS  64           H        HIS  64  25.237  34.074  18.805
  513    HA   HIS  64           HA       HIS  64  25.988  32.745  16.286
  514    HB2  HIS  64           HB2      HIS  64  27.850  32.886  18.698
  515    HB3  HIS  64           HB3      HIS  64  28.086  31.869  17.278
  516    HD1  HIS  64           HD1      HIS  64  28.026  33.612  14.857
  517    HD2  HIS  64           HD2      HIS  64  29.332  35.028  18.603
  518    HE1  HIS  64           HE1      HIS  64  29.409  35.696  14.392
  519    H    GLU  65           H        GLU  65  25.960  30.351  16.547
  520    HA   GLU  65           HA       GLU  65  24.370  29.468  18.953
  521    HB2  GLU  65           HB2      GLU  65  23.158  27.920  17.512
  522    HB3  GLU  65           HB3      GLU  65  22.848  29.592  17.089
  523    HG2  GLU  65           HG2      GLU  65  24.305  29.447  15.137
  524    HG3  GLU  65           HG3      GLU  65  24.808  27.811  15.590
  525    H    THR  66           H        THR  66  26.957  28.537  16.701
  526    HA   THR  66           HA       THR  66  27.989  26.713  18.761
  527    HB   THR  66           HB       THR  66  27.490  25.567  16.004
  528    HG1  THR  66           HG1      THR  66  25.819  25.742  18.109
  529   HG21  THR  66          HG21      THR  66  28.359  24.269  18.623
  530   HG22  THR  66          HG22      THR  66  29.341  24.446  17.142
  531   HG23  THR  66          HG23      THR  66  27.931  23.390  17.142
  532    H    VAL  67           H        VAL  67  30.169  26.480  18.606
  533    HA   VAL  67           HA       VAL  67  31.652  27.241  16.202
  534    HB   VAL  67           HB       VAL  67  32.944  28.554  18.461
  535   HG11  VAL  67          HG11      VAL  67  31.984  29.589  15.773
  536   HG12  VAL  67          HG12      VAL  67  33.165  30.363  16.851
  537   HG13  VAL  67          HG13      VAL  67  33.553  28.815  16.090
  538   HG21  VAL  67          HG21      VAL  67  31.566  30.535  18.648
  539   HG22  VAL  67          HG22      VAL  67  30.300  29.811  17.644
  540   HG23  VAL  67          HG23      VAL  67  30.678  29.136  19.256
  541    HA   PRO  68           HA       PRO  68  30.628  25.150  19.443
  542    HB2  PRO  68           HB2      PRO  68  31.728  24.161  21.713
  543    HB3  PRO  68           HB3      PRO  68  31.522  23.188  20.234
  544    HG2  PRO  68           HG2      PRO  68  34.006  24.690  21.132
  545    HG3  PRO  68           HG3      PRO  68  33.876  22.963  20.675
  546    HD2  PRO  68           HD2      PRO  68  34.674  24.797  18.871
  547    HD3  PRO  68           HD3      PRO  68  33.533  23.513  18.381
  548    H    ALA  69           H        ALA  69  29.977  25.889  21.671
  549    HA   ALA  69           HA       ALA  69  31.184  28.522  22.393
  550    HB1  ALA  69           HB1      ALA  69  28.763  28.558  21.959
  551    HB2  ALA  69           HB2      ALA  69  28.511  27.239  23.124
  552    HB3  ALA  69           HB3      ALA  69  29.073  28.823  23.685
  553    H    ILE  70           H        ILE  70  32.418  28.675  24.231
  554    HA   ILE  70           HA       ILE  70  32.390  26.407  26.171
  555    HB   ILE  70           HB       ILE  70  34.831  28.027  25.380
  556   HG12  ILE  70          HG12      ILE  70  35.448  25.504  24.516
  557   HG13  ILE  70          HG13      ILE  70  33.740  25.539  24.114
  558   HG21  ILE  70          HG21      ILE  70  34.493  25.533  27.094
  559   HG22  ILE  70          HG22      ILE  70  36.050  26.212  26.588
  560   HG23  ILE  70          HG23      ILE  70  34.988  27.147  27.630
  561   HD11  ILE  70          HD11      ILE  70  35.826  27.611  23.262
  562   HD12  ILE  70          HD12      ILE  70  35.191  26.312  22.243
  563   HD13  ILE  70          HD13      ILE  70  34.120  27.620  22.781
  564    H    PHE  71           H        PHE  71  32.238  26.910  28.253
  565    HA   PHE  71           HA       PHE  71  32.558  29.743  29.129
  566    HB2  PHE  71           HB2      PHE  71  30.479  27.714  30.001
  567    HB3  PHE  71           HB3      PHE  71  30.701  29.316  30.687
  568    HD1  PHE  71           HD2      PHE  71  29.617  27.430  27.673
  569    HD2  PHE  71           HD1      PHE  71  29.846  31.309  29.544
  570    HE1  PHE  71           HE2      PHE  71  28.110  28.370  25.932
  571    HE2  PHE  71           HE1      PHE  71  28.310  32.226  27.820
  572    HZ   PHE  71           HZ       PHE  71  27.447  30.745  26.006
  573    H    ILE  72           H        ILE  72  33.885  30.020  30.868
  574    HA   ILE  72           HA       ILE  72  34.570  27.660  32.581
  575    HB   ILE  72           HB       ILE  72  36.582  29.728  31.617
  576   HG12  ILE  72          HG12      ILE  72  35.996  26.917  30.645
  577   HG13  ILE  72          HG13      ILE  72  36.034  28.407  29.719
  578   HG21  ILE  72          HG21      ILE  72  36.793  27.256  33.406
  579   HG22  ILE  72          HG22      ILE  72  38.195  28.128  32.755
  580   HG23  ILE  72          HG23      ILE  72  37.087  28.931  33.852
  581   HD11  ILE  72          HD11      ILE  72  38.503  28.552  30.135
  582   HD12  ILE  72          HD12      ILE  72  38.416  26.925  30.869
  583   HD13  ILE  72          HD13      ILE  72  37.983  27.155  29.168
  584    H    ASN  73           H        ASN  73  33.955  28.052  34.590
  585    HA   ASN  73           HA       ASN  73  32.844  29.137  36.221
  586    HB2  ASN  73           HB2      ASN  73  35.444  30.686  36.125
  587    HB3  ASN  73           HB3      ASN  73  34.212  31.015  37.341
  588   HD21  ASN  73          HD21      ASN  73  36.608  30.247  38.314
  589   HD22  ASN  73          HD22      ASN  73  36.402  28.627  38.979
  590    H    GLY  74           H        GLY  74  31.674  29.669  33.896
  591    HA2  GLY  74           HA2      GLY  74  30.097  31.032  32.932
  592    HA3  GLY  74           HA3      GLY  74  30.212  32.111  34.297
  593    H    ASN  75           H        ASN  75  33.328  31.988  32.922
  594    HA   ASN  75           HA       ASN  75  32.921  34.458  31.349
  595    HB2  ASN  75           HB2      ASN  75  35.458  32.813  31.724
  596    HB3  ASN  75           HB3      ASN  75  35.352  34.460  31.143
  597   HD21  ASN  75          HD21      ASN  75  35.434  32.459  33.930
  598   HD22  ASN  75          HD22      ASN  75  35.653  33.803  35.049
  599    H    PHE  76           H        PHE  76  32.721  34.504  29.112
  600    HA   PHE  76           HA       PHE  76  32.553  31.900  27.720
  601    HB2  PHE  76           HB2      PHE  76  30.610  33.292  27.585
  602    HB3  PHE  76           HB3      PHE  76  31.560  34.683  27.080
  603    HD1  PHE  76           HD1      PHE  76  30.868  31.137  25.958
  604    HD2  PHE  76           HD2      PHE  76  31.628  35.218  24.804
  605    HE1  PHE  76           HE1      PHE  76  30.636  30.518  23.571
  606    HE2  PHE  76           HE2      PHE  76  31.379  34.596  22.420
  607    HZ   PHE  76           HZ       PHE  76  30.884  32.241  21.793
  608    H    ILE  77           H        ILE  77  33.830  31.210  26.146
  609    HA   ILE  77           HA       ILE  77  35.209  33.128  24.425
  610    HB   ILE  77           HB       ILE  77  37.197  31.850  24.125
  611   HG12  ILE  77          HG12      ILE  77  36.589  29.603  24.804
  612   HG13  ILE  77          HG13      ILE  77  38.069  30.177  25.540
  613   HG21  ILE  77          HG21      ILE  77  37.090  33.786  25.669
  614   HG22  ILE  77          HG22      ILE  77  36.957  32.679  27.033
  615   HG23  ILE  77          HG23      ILE  77  38.407  32.666  25.994
  616   HD11  ILE  77          HD11      ILE  77  36.837  28.859  27.138
  617   HD12  ILE  77          HD12      ILE  77  36.873  30.530  27.707
  618   HD13  ILE  77          HD13      ILE  77  35.400  29.873  26.965
  619    H    GLY  78           H        GLY  78  35.255  32.580  22.253
  620    HA2  GLY  78           HA2      GLY  78  33.687  30.107  21.537
  621    HA3  GLY  78           HA3      GLY  78  33.341  31.676  20.829
  622    H    GLY  79           H        GLY  79  34.807  28.854  20.299
  623    HA2  GLY  79           HA2      GLY  79  35.507  28.419  17.985
  624    HA3  GLY  79           HA3      GLY  79  36.465  29.895  18.030
  625    H    CYS  80           H        CYS  80  37.327  27.132  17.441
  626    HA   CYS  80           HA       CYS  80  38.537  25.843  19.631
  627    HB2  CYS  80           HB2      CYS  80  39.436  25.866  16.713
  628    HB3  CYS  80           HB3      CYS  80  39.872  24.648  17.920
  629    HG   CYS  80           HG       CYS  80  37.507  23.708  18.351
  630    H    SER  81           H        SER  81  40.012  28.226  17.405
  631    HA   SER  81           HA       SER  81  42.584  28.285  18.670
  632    HB2  SER  81           HB2      SER  81  41.268  30.447  16.987
  633    HB3  SER  81           HB3      SER  81  42.995  30.274  17.343
  634    HG   SER  81           HG       SER  81  41.297  28.577  15.824
  635    H    ASP  82           H        ASP  82  39.596  30.119  19.339
  636    HA   ASP  82           HA       ASP  82  40.767  32.097  21.021
  637    HB2  ASP  82           HB2      ASP  82  38.389  31.810  19.899
  638    HB3  ASP  82           HB3      ASP  82  37.911  31.082  21.399
  639    H    LEU  83           H        LEU  83  39.371  28.964  21.714
  640    HA   LEU  83           HA       LEU  83  39.736  29.004  24.590
  641    HB2  LEU  83           HB2      LEU  83  38.192  27.444  23.592
  642    HB3  LEU  83           HB3      LEU  83  39.437  26.789  22.529
  643    HG   LEU  83           HG       LEU  83  40.632  25.829  24.466
  644   HD11  LEU  83          HD11      LEU  83  39.525  25.717  26.676
  645   HD12  LEU  83          HD12      LEU  83  39.926  27.378  26.259
  646   HD13  LEU  83          HD13      LEU  83  38.251  26.822  26.094
  647   HD21  LEU  83          HD21      LEU  83  38.960  24.527  23.219
  648   HD22  LEU  83          HD22      LEU  83  39.079  24.036  24.911
  649   HD23  LEU  83          HD23      LEU  83  37.707  25.036  24.373
  650    H    GLU  84           H        GLU  84  41.791  27.650  21.950
  651    HA   GLU  84           HA       GLU  84  43.873  26.794  23.753
  652    HB2  GLU  84           HB2      GLU  84  43.862  27.263  20.753
  653    HB3  GLU  84           HB3      GLU  84  45.259  26.626  21.664
  654    HG2  GLU  84           HG2      GLU  84  44.043  24.742  22.462
  655    HG3  GLU  84           HG3      GLU  84  42.516  25.341  21.819
  656    H    ALA  85           H        ALA  85  43.225  29.930  22.269
  657    HA   ALA  85           HA       ALA  85  45.753  31.135  22.759
  658    HB1  ALA  85           HB1      ALA  85  44.462  33.267  22.666
  659    HB2  ALA  85           HB2      ALA  85  44.002  32.173  21.352
  660    HB3  ALA  85           HB3      ALA  85  42.948  32.356  22.763
  661    H    LEU  86           H        LEU  86  42.956  30.605  24.991
  662    HA   LEU  86           HA       LEU  86  44.019  32.105  27.207
  663    HB2  LEU  86           HB2      LEU  86  42.313  29.576  27.254
  664    HB3  LEU  86           HB3      LEU  86  42.578  30.696  28.582
  665    HG   LEU  86           HG       LEU  86  40.999  31.271  26.053
  666   HD11  LEU  86          HD11      LEU  86  39.868  29.795  27.641
  667   HD12  LEU  86          HD12      LEU  86  40.250  30.894  28.992
  668   HD13  LEU  86          HD13      LEU  86  39.134  31.401  27.722
  669   HD21  LEU  86          HD21      LEU  86  41.567  33.051  28.470
  670   HD22  LEU  86          HD22      LEU  86  42.109  33.339  26.798
  671   HD23  LEU  86          HD23      LEU  86  40.392  33.395  27.188
  672    H    ASP  87           H        ASP  87  44.645  28.856  25.978
  673    HA   ASP  87           HA       ASP  87  46.130  27.929  28.290
  674    HB2  ASP  87           HB2      ASP  87  44.941  26.469  26.593
  675    HB3  ASP  87           HB3      ASP  87  46.248  26.827  25.472
  676    H    LYS  88           H        LYS  88  47.021  29.287  25.139
  677    HA   LYS  88           HA       LYS  88  49.899  29.300  25.537
  678    HB2  LYS  88           HB2      LYS  88  47.959  30.596  23.580
  679    HB3  LYS  88           HB3      LYS  88  49.619  31.148  23.656
  680    HG2  LYS  88           HG2      LYS  88  49.643  29.565  21.953
  681    HG3  LYS  88           HG3      LYS  88  50.392  28.774  23.339
  682    HD2  LYS  88           HD2      LYS  88  48.172  27.614  23.784
  683    HD3  LYS  88           HD3      LYS  88  47.538  28.410  22.335
  684    HE2  LYS  88           HE2      LYS  88  48.159  26.142  21.811
  685    HE3  LYS  88           HE3      LYS  88  49.188  27.274  20.931
  686    HZ1  LYS  88           HZ1      LYS  88  49.990  25.976  23.486
  687    HZ2  LYS  88           HZ2      LYS  88  50.435  25.384  22.014
  688    HZ3  LYS  88           HZ3      LYS  88  50.952  26.860  22.508
  689    H    GLU  89           H        GLU  89  47.386  31.651  26.332
  690    HA   GLU  89           HA       GLU  89  49.375  33.616  27.275
  691    HB2  GLU  89           HB2      GLU  89  46.346  33.621  27.305
  692    HB3  GLU  89           HB3      GLU  89  47.355  34.969  27.820
  693    HG2  GLU  89           HG2      GLU  89  47.478  33.814  24.993
  694    HG3  GLU  89           HG3      GLU  89  46.405  35.113  25.477
  695    H    GLY  90           H        GLY  90  48.464  30.783  28.652
  696    HA2  GLY  90           HA2      GLY  90  49.113  29.995  30.717
  697    HA3  GLY  90           HA3      GLY  90  49.596  31.624  31.171
  698    H    LYS  91           H        LYS  91  46.354  31.822  30.264
  699    HA   LYS  91           HA       LYS  91  45.605  32.140  33.104
  700    HB2  LYS  91           HB2      LYS  91  44.565  33.137  30.424
  701    HB3  LYS  91           HB3      LYS  91  43.660  33.327  31.918
  702    HG2  LYS  91           HG2      LYS  91  45.713  34.439  32.942
  703    HG3  LYS  91           HG3      LYS  91  46.430  34.444  31.331
  704    HD2  LYS  91           HD2      LYS  91  43.864  35.844  32.186
  705    HD3  LYS  91           HD3      LYS  91  45.431  36.607  31.890
  706    HE2  LYS  91           HE2      LYS  91  45.305  35.812  29.493
  707    HE3  LYS  91           HE3      LYS  91  43.673  35.208  29.822
  708    HZ1  LYS  91           HZ1      LYS  91  43.537  37.383  28.873
  709    HZ2  LYS  91           HZ2      LYS  91  43.076  37.516  30.454
  710    HZ3  LYS  91           HZ3      LYS  91  44.565  38.027  29.989
  711    H    LEU  92           H        LEU  92  45.099  29.812  30.652
  712    HA   LEU  92           HA       LEU  92  42.559  28.783  31.747
  713    HB2  LEU  92           HB2      LEU  92  43.429  28.661  29.290
  714    HB3  LEU  92           HB3      LEU  92  44.594  27.487  29.868
  715    HG   LEU  92           HG       LEU  92  42.663  26.050  30.609
  716   HD11  LEU  92          HD11      LEU  92  40.460  26.481  29.582
  717   HD12  LEU  92          HD12      LEU  92  40.888  27.719  30.774
  718   HD13  LEU  92          HD13      LEU  92  41.032  28.069  29.037
  719   HD21  LEU  92          HD21      LEU  92  43.807  25.622  28.482
  720   HD22  LEU  92          HD22      LEU  92  42.077  25.277  28.331
  721   HD23  LEU  92          HD23      LEU  92  42.741  26.783  27.658
  722    H    ASP  93           H        ASP  93  45.994  28.227  32.213
  723    HA   ASP  93           HA       ASP  93  45.711  26.071  34.136
  724    HB2  ASP  93           HB2      ASP  93  47.804  28.240  33.675
  725    HB3  ASP  93           HB3      ASP  93  47.904  27.038  34.946
  726    H    GLY  94           H        GLY  94  45.915  29.664  34.439
  727    HA2  GLY  94           HA2      GLY  94  45.536  29.845  37.235
  728    HA3  GLY  94           HA3      GLY  94  45.199  31.122  36.063
  729    H    LEU  95           H        LEU  95  43.060  29.425  34.726
  730    HA   LEU  95           HA       LEU  95  40.829  29.945  36.526
  731    HB2  LEU  95           HB2      LEU  95  41.145  28.794  33.744
  732    HB3  LEU  95           HB3      LEU  95  39.591  28.761  34.575
  733    HG   LEU  95           HG       LEU  95  41.147  31.356  34.250
  734   HD11  LEU  95          HD11      LEU  95  39.019  30.282  32.360
  735   HD12  LEU  95          HD12      LEU  95  39.797  31.872  32.293
  736   HD13  LEU  95          HD13      LEU  95  40.757  30.419  31.997
  737   HD21  LEU  95          HD21      LEU  95  38.183  30.801  34.694
  738   HD22  LEU  95          HD22      LEU  95  39.323  31.414  35.910
  739   HD23  LEU  95          HD23      LEU  95  38.932  32.396  34.498
  740    H    LEU  96           H        LEU  96  42.790  27.111  35.819
  741    HA   LEU  96           HA       LEU  96  41.125  25.457  37.655
  742    HB2  LEU  96           HB2      LEU  96  43.746  24.815  36.257
  743    HB3  LEU  96           HB3      LEU  96  42.883  23.682  37.291
  744    HG   LEU  96           HG       LEU  96  41.987  24.747  34.626
  745   HD11  LEU  96          HD11      LEU  96  42.357  21.941  35.822
  746   HD12  LEU  96          HD12      LEU  96  42.066  22.291  34.121
  747   HD13  LEU  96          HD13      LEU  96  43.594  22.760  34.882
  748   HD21  LEU  96          HD21      LEU  96  39.927  23.302  34.978
  749   HD22  LEU  96          HD22      LEU  96  40.363  23.202  36.690
  750   HD23  LEU  96          HD23      LEU  96  39.963  24.769  35.944
  751    H    SER  97           H        SER  97  42.883  27.983  38.393
  752    HA   SER  97           HA       SER  97  43.968  26.825  40.923
  753    HB2  SER  97           HB2      SER  97  44.500  29.415  39.492
  754    HB3  SER  97           HB3      SER  97  44.752  29.292  41.238
  755    HG   SER  97           HG       SER  97  46.259  27.862  40.991
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  21.701  38.051  34.212
    2    H2   GLY   1           H2       GLY   1  21.542  38.287  32.586
    3    H3   GLY   1           H3       GLY   1  21.575  36.770  33.201
    4    HA2  GLY   1           HA2      GLY   1  19.463  38.765  33.693
    5    HA3  GLY   1           HA3      GLY   1  19.322  37.365  32.615
    6    H    ALA   2           H        ALA   2  17.411  36.958  34.029
    7    HA   ALA   2           HA       ALA   2  18.155  35.120  36.247
    8    HB1  ALA   2           HB1      ALA   2  16.199  37.444  36.510
    9    HB2  ALA   2           HB2      ALA   2  16.494  36.195  37.739
   10    HB3  ALA   2           HB3      ALA   2  17.788  37.313  37.290
   11    H    MET   3           H        MET   3  16.555  35.281  33.403
   12    HA   MET   3           HA       MET   3  14.084  33.889  34.099
   13    HB2  MET   3           HB2      MET   3  14.153  35.412  32.245
   14    HB3  MET   3           HB3      MET   3  15.466  34.534  31.472
   15    HG2  MET   3           HG2      MET   3  12.744  33.298  31.973
   16    HG3  MET   3           HG3      MET   3  13.103  34.252  30.544
   17    HE1  MET   3           HE1      MET   3  12.155  31.026  31.032
   18    HE2  MET   3           HE2      MET   3  12.002  31.901  29.489
   19    HE3  MET   3           HE3      MET   3  12.871  30.350  29.556
   20    HA   PRO   4           HA       PRO   4  16.116  30.011  34.700
   21    HB2  PRO   4           HB2      PRO   4  14.068  28.189  34.398
   22    HB3  PRO   4           HB3      PRO   4  14.267  29.267  35.808
   23    HG2  PRO   4           HG2      PRO   4  12.528  29.723  33.363
   24    HG3  PRO   4           HG3      PRO   4  12.071  29.867  35.093
   25    HD2  PRO   4           HD2      PRO   4  12.748  32.050  33.676
   26    HD3  PRO   4           HD3      PRO   4  13.349  31.864  35.349
   27    H    SER   5           H        SER   5  17.596  29.676  33.200
   28    HA   SER   5           HA       SER   5  17.185  28.022  30.898
   29    HB2  SER   5           HB2      SER   5  17.981  29.658  29.207
   30    HB3  SER   5           HB3      SER   5  16.377  29.998  29.767
   31    HG   SER   5           HG       SER   5  17.297  31.491  31.313
   32    H    ILE   6           H        ILE   6  19.423  28.593  29.463
   33    HA   ILE   6           HA       ILE   6  20.970  26.756  30.647
   34    HB   ILE   6           HB       ILE   6  22.432  26.831  28.943
   35   HG12  ILE   6          HG12      ILE   6  21.926  29.756  28.454
   36   HG13  ILE   6          HG13      ILE   6  23.430  28.999  28.951
   37   HG21  ILE   6          HG21      ILE   6  19.974  28.116  27.706
   38   HG22  ILE   6          HG22      ILE   6  21.045  26.879  27.034
   39   HG23  ILE   6          HG23      ILE   6  20.005  26.480  28.415
   40   HD11  ILE   6          HD11      ILE   6  22.082  28.699  26.225
   41   HD12  ILE   6          HD12      ILE   6  23.582  29.567  26.606
   42   HD13  ILE   6          HD13      ILE   6  23.501  27.795  26.729
   43    H    ALA   7           H        ALA   7  21.404  30.105  31.233
   44    HA   ALA   7           HA       ALA   7  24.014  30.305  32.300
   45    HB1  ALA   7           HB1      ALA   7  21.401  31.534  33.266
   46    HB2  ALA   7           HB2      ALA   7  23.029  32.082  33.730
   47    HB3  ALA   7           HB3      ALA   7  22.507  32.190  32.039
   48    H    SER   8           H        SER   8  21.093  28.861  33.839
   49    HA   SER   8           HA       SER   8  22.173  28.253  36.406
   50    HB2  SER   8           HB2      SER   8  20.178  26.621  34.788
   51    HB3  SER   8           HB3      SER   8  20.338  26.668  36.555
   52    HG   SER   8           HG       SER   8  18.642  27.959  35.398
   53    H    MET   9           H        MET   9  22.460  26.545  33.293
   54    HA   MET   9           HA       MET   9  23.578  24.083  34.369
   55    HB2  MET   9           HB2      MET   9  23.785  25.093  31.509
   56    HB3  MET   9           HB3      MET   9  23.936  23.441  32.093
   57    HG2  MET   9           HG2      MET   9  21.531  23.475  32.756
   58    HG3  MET   9           HG3      MET   9  21.388  25.107  32.117
   59    HE1  MET   9           HE1      MET   9  19.350  23.017  29.519
   60    HE2  MET   9           HE2      MET   9  19.437  22.834  31.283
   61    HE3  MET   9           HE3      MET   9  19.357  24.457  30.559
   62    H    ILE  10           H        ILE  10  24.915  27.128  33.077
   63    HA   ILE  10           HA       ILE  10  27.647  26.318  32.870
   64    HB   ILE  10           HB       ILE  10  26.828  29.148  33.598
   65   HG12  ILE  10          HG12      ILE  10  25.292  28.611  31.848
   66   HG13  ILE  10          HG13      ILE  10  26.528  29.660  31.212
   67   HG21  ILE  10          HG21      ILE  10  29.095  27.916  32.001
   68   HG22  ILE  10          HG22      ILE  10  28.706  29.654  31.981
   69   HG23  ILE  10          HG23      ILE  10  29.179  28.875  33.489
   70   HD11  ILE  10          HD11      ILE  10  25.947  27.961  29.586
   71   HD12  ILE  10          HD12      ILE  10  27.616  27.681  30.115
   72   HD13  ILE  10          HD13      ILE  10  26.301  26.652  30.725
   73    H    LYS  11           H        LYS  11  25.713  27.030  35.615
   74    HA   LYS  11           HA       LYS  11  27.943  27.391  37.505
   75    HB2  LYS  11           HB2      LYS  11  24.954  27.404  37.866
   76    HB3  LYS  11           HB3      LYS  11  26.156  27.733  39.130
   77    HG2  LYS  11           HG2      LYS  11  27.104  29.595  37.795
   78    HG3  LYS  11           HG3      LYS  11  25.936  29.297  36.497
   79    HD2  LYS  11           HD2      LYS  11  24.085  29.726  38.018
   80    HD3  LYS  11           HD3      LYS  11  25.251  30.016  39.335
   81    HE2  LYS  11           HE2      LYS  11  26.240  31.900  38.087
   82    HE3  LYS  11           HE3      LYS  11  25.174  31.573  36.705
   83    HZ1  LYS  11           HZ1      LYS  11  24.245  32.395  39.399
   84    HZ2  LYS  11           HZ2      LYS  11  24.353  33.374  38.074
   85    HZ3  LYS  11           HZ3      LYS  11  23.287  32.127  38.083
   86    H    GLY  12           H        GLY  12  26.658  24.696  36.064
   87    HA2  GLY  12           HA2      GLY  12  26.630  22.857  38.336
   88    HA3  GLY  12           HA3      GLY  12  26.532  22.444  36.625
   89    H    ASN  13           H        ASN  13  28.811  23.292  35.489
   90    HA   ASN  13           HA       ASN  13  31.007  21.967  37.017
   91    HB2  ASN  13           HB2      ASN  13  30.329  21.845  34.057
   92    HB3  ASN  13           HB3      ASN  13  31.886  21.354  34.701
   93   HD21  ASN  13          HD21      ASN  13  28.435  20.511  34.635
   94   HD22  ASN  13          HD22      ASN  13  28.746  18.834  35.130
   95    H    LYS  14           H        LYS  14  33.190  22.545  36.409
   96    HA   LYS  14           HA       LYS  14  33.756  25.390  36.465
   97    HB2  LYS  14           HB2      LYS  14  35.187  23.442  37.345
   98    HB3  LYS  14           HB3      LYS  14  35.608  23.088  35.684
   99    HG2  LYS  14           HG2      LYS  14  37.361  24.469  35.954
  100    HG3  LYS  14           HG3      LYS  14  36.210  25.785  35.801
  101    HD2  LYS  14           HD2      LYS  14  37.395  26.321  37.734
  102    HD3  LYS  14           HD3      LYS  14  35.916  25.594  38.378
  103    HE2  LYS  14           HE2      LYS  14  37.161  23.411  38.619
  104    HE3  LYS  14           HE3      LYS  14  38.619  24.205  38.020
  105    HZ1  LYS  14           HZ1      LYS  14  37.178  24.899  40.526
  106    HZ2  LYS  14           HZ2      LYS  14  38.615  24.140  40.434
  107    HZ3  LYS  14           HZ3      LYS  14  38.490  25.714  39.970
  108    H    VAL  15           H        VAL  15  34.064  22.922  33.869
  109    HA   VAL  15           HA       VAL  15  33.685  25.099  31.859
  110    HB   VAL  15           HB       VAL  15  35.171  22.502  31.422
  111   HG11  VAL  15          HG11      VAL  15  35.767  23.594  29.247
  112   HG12  VAL  15          HG12      VAL  15  34.047  23.239  29.378
  113   HG13  VAL  15          HG13      VAL  15  34.624  24.902  29.611
  114   HG21  VAL  15          HG21      VAL  15  36.034  25.367  31.928
  115   HG22  VAL  15          HG22      VAL  15  36.599  23.884  32.720
  116   HG23  VAL  15          HG23      VAL  15  37.057  24.238  31.040
  117    H    VAL  16           H        VAL  16  32.002  25.099  30.642
  118    HA   VAL  16           HA       VAL  16  30.405  22.605  30.205
  119    HB   VAL  16           HB       VAL  16  29.276  25.376  30.736
  120   HG11  VAL  16          HG11      VAL  16  27.892  22.748  30.015
  121   HG12  VAL  16          HG12      VAL  16  27.068  24.222  30.568
  122   HG13  VAL  16          HG13      VAL  16  27.923  24.229  29.028
  123   HG21  VAL  16          HG21      VAL  16  29.933  24.246  32.815
  124   HG22  VAL  16          HG22      VAL  16  28.177  24.190  32.653
  125   HG23  VAL  16          HG23      VAL  16  29.132  22.749  32.277
  126    H    VAL  17           H        VAL  17  30.126  22.165  28.075
  127    HA   VAL  17           HA       VAL  17  30.522  24.375  26.076
  128    HB   VAL  17           HB       VAL  17  31.555  21.524  26.003
  129   HG11  VAL  17          HG11      VAL  17  31.856  23.651  23.853
  130   HG12  VAL  17          HG12      VAL  17  32.596  22.024  23.871
  131   HG13  VAL  17          HG13      VAL  17  30.851  22.192  23.736
  132   HG21  VAL  17          HG21      VAL  17  32.959  24.193  26.161
  133   HG22  VAL  17          HG22      VAL  17  32.961  22.894  27.367
  134   HG23  VAL  17          HG23      VAL  17  33.773  22.649  25.820
  135    H    PHE  18           H        PHE  18  29.202  24.372  24.233
  136    HA   PHE  18           HA       PHE  18  27.000  22.320  24.127
  137    HB2  PHE  18           HB2      PHE  18  26.778  25.214  23.276
  138    HB3  PHE  18           HB3      PHE  18  25.535  23.988  23.188
  139    HD1  PHE  18           HD2      PHE  18  27.473  26.181  25.446
  140    HD2  PHE  18           HD1      PHE  18  24.204  23.392  25.166
  141    HE1  PHE  18           HE2      PHE  18  26.565  27.030  27.589
  142    HE2  PHE  18           HE1      PHE  18  23.295  24.243  27.323
  143    HZ   PHE  18           HZ       PHE  18  24.444  26.125  28.497
  144    H    SER  19           H        SER  19  27.083  21.139  22.326
  145    HA   SER  19           HA       SER  19  28.614  22.034  19.907
  146    HB2  SER  19           HB2      SER  19  29.088  19.544  21.593
  147    HB3  SER  19           HB3      SER  19  29.813  19.862  20.010
  148    HG   SER  19           HG       SER  19  31.247  20.520  21.500
  149    H    TRP  20           H        TRP  20  28.670  20.346  18.173
  150    HA   TRP  20           HA       TRP  20  26.155  18.708  18.021
  151    HB2  TRP  20           HB2      TRP  20  27.620  20.261  15.884
  152    HB3  TRP  20           HB3      TRP  20  26.616  18.887  15.495
  153    HD1  TRP  20           HD1      TRP  20  24.780  20.588  18.153
  154    HE1  TRP  20           HE1      TRP  20  22.758  21.813  17.120
  155    HE3  TRP  20           HE3      TRP  20  26.289  20.763  13.251
  156    HZ2  TRP  20           HZ2      TRP  20  21.991  22.885  14.606
  157    HZ3  TRP  20           HZ3      TRP  20  24.876  21.931  11.566
  158    HH2  TRP  20           HH2      TRP  20  22.736  22.982  12.227
  159    H    VAL  21           H        VAL  21  26.373  16.612  17.642
  160    HA   VAL  21           HA       VAL  21  29.018  15.374  17.135
  161    HB   VAL  21           HB       VAL  21  26.312  14.086  17.614
  162   HG11  VAL  21          HG11      VAL  21  29.102  12.852  17.551
  163   HG12  VAL  21          HG12      VAL  21  27.588  12.010  17.928
  164   HG13  VAL  21          HG13      VAL  21  27.849  12.636  16.303
  165   HG21  VAL  21          HG21      VAL  21  27.279  13.439  19.814
  166   HG22  VAL  21          HG22      VAL  21  28.700  14.450  19.475
  167   HG23  VAL  21          HG23      VAL  21  27.093  15.183  19.650
  168    H    THR  22           H        THR  22  28.228  14.963  13.598
  169    HA   THR  22           HA       THR  22  30.358  15.255  15.667
  170    HB   THR  22           HB       THR  22  31.877  14.198  14.132
  171    HG1  THR  22           HG1      THR  22  29.565  13.798  12.527
  172   HG21  THR  22          HG21      THR  22  30.668  12.825  15.806
  173   HG22  THR  22          HG22      THR  22  31.103  11.919  14.360
  174   HG23  THR  22          HG23      THR  22  29.428  12.448  14.578
  175    H    CYS  23           H        CYS  23  31.928  16.781  15.437
  176    HA   CYS  23           HA       CYS  23  31.711  18.729  13.181
  177    HB2  CYS  23           HB2      CYS  23  30.398  19.606  15.020
  178    HB3  CYS  23           HB3      CYS  23  31.700  19.280  16.161
  179    HG   CYS  23           HG       CYS  23  31.599  21.376  13.579
  180    HA   PRO  24           HA       PRO  24  36.148  17.981  13.488
  181    HB2  PRO  24           HB2      PRO  24  36.378  20.185  11.483
  182    HB3  PRO  24           HB3      PRO  24  37.076  18.550  11.457
  183    HG2  PRO  24           HG2      PRO  24  34.914  19.160   9.921
  184    HG3  PRO  24           HG3      PRO  24  35.014  17.582  10.771
  185    HD2  PRO  24           HD2      PRO  24  33.529  20.084  11.633
  186    HD3  PRO  24           HD3      PRO  24  32.968  18.383  11.587
  187    H    TYR  25           H        TYR  25  34.628  21.012  14.317
  188    HA   TYR  25           HA       TYR  25  37.080  21.903  15.711
  189    HB2  TYR  25           HB2      TYR  25  34.248  23.005  15.690
  190    HB3  TYR  25           HB3      TYR  25  35.563  23.680  16.620
  191    HD1  TYR  25           HD2      TYR  25  37.899  23.709  14.912
  192    HD2  TYR  25           HD1      TYR  25  33.765  24.547  13.958
  193    HE1  TYR  25           HE2      TYR  25  38.620  25.182  13.048
  194    HE2  TYR  25           HE1      TYR  25  34.500  25.985  12.078
  195    HH   TYR  25           HH       TYR  25  36.272  26.786  10.892
  196    H    CYS  26           H        CYS  26  33.960  20.385  16.635
  197    HA   CYS  26           HA       CYS  26  34.385  20.719  19.417
  198    HB2  CYS  26           HB2      CYS  26  32.254  20.243  18.353
  199    HB3  CYS  26           HB3      CYS  26  32.727  18.584  18.007
  200    HG   CYS  26           HG       CYS  26  33.106  17.798  20.500
  201    H    VAL  27           H        VAL  27  35.490  18.105  17.319
  202    HA   VAL  27           HA       VAL  27  36.675  16.296  19.085
  203    HB   VAL  27           HB       VAL  27  36.546  16.237  16.771
  204   HG11  VAL  27          HG11      VAL  27  38.852  17.867  16.162
  205   HG12  VAL  27          HG12      VAL  27  37.714  17.026  15.098
  206   HG13  VAL  27          HG13      VAL  27  37.115  18.354  16.093
  207   HG21  VAL  27          HG21      VAL  27  38.626  14.964  16.311
  208   HG22  VAL  27          HG22      VAL  27  39.451  15.847  17.621
  209   HG23  VAL  27          HG23      VAL  27  38.144  14.695  17.994
  210    H    ARG  28           H        ARG  28  38.077  18.864  17.582
  211    HA   ARG  28           HA       ARG  28  40.608  19.123  18.861
  212    HB2  ARG  28           HB2      ARG  28  39.194  21.707  18.100
  213    HB3  ARG  28           HB3      ARG  28  40.921  21.374  18.180
  214    HG2  ARG  28           HG2      ARG  28  40.542  19.657  16.319
  215    HG3  ARG  28           HG3      ARG  28  38.916  20.358  16.184
  216    HD2  ARG  28           HD2      ARG  28  39.905  22.577  15.718
  217    HD3  ARG  28           HD3      ARG  28  41.526  21.854  15.755
  218    HE   ARG  28           HE       ARG  28  40.079  20.303  13.939
  219   HH11  ARG  28          HH22      ARG  28  40.839  23.767  13.999
  220   HH12  ARG  28          HH21      ARG  28  40.563  23.868  12.258
  221   HH21  ARG  28          HH12      ARG  28  40.056  20.567  11.727
  222   HH22  ARG  28          HH11      ARG  28  40.376  22.139  11.043
  223    H    ALA  29           H        ALA  29  37.657  20.772  19.949
  224    HA   ALA  29           HA       ALA  29  38.817  21.814  22.390
  225    HB1  ALA  29           HB1      ALA  29  36.425  22.152  23.063
  226    HB2  ALA  29           HB2      ALA  29  36.847  22.860  21.506
  227    HB3  ALA  29           HB3      ALA  29  35.923  21.338  21.566
  228    H    GLU  30           H        GLU  30  36.687  18.903  21.875
  229    HA   GLU  30           HA       GLU  30  36.729  18.004  24.590
  230    HB2  GLU  30           HB2      GLU  30  36.476  16.496  21.953
  231    HB3  GLU  30           HB3      GLU  30  36.320  15.740  23.538
  232    HG2  GLU  30           HG2      GLU  30  34.351  17.234  24.016
  233    HG3  GLU  30           HG3      GLU  30  34.478  17.867  22.382
  234    H    LYS  31           H        LYS  31  39.136  17.559  22.079
  235    HA   LYS  31           HA       LYS  31  40.699  15.649  23.564
  236    HB2  LYS  31           HB2      LYS  31  40.811  15.808  21.127
  237    HB3  LYS  31           HB3      LYS  31  41.208  17.524  21.218
  238    HG2  LYS  31           HG2      LYS  31  43.425  16.937  22.219
  239    HG3  LYS  31           HG3      LYS  31  43.007  15.222  22.064
  240    HD2  LYS  31           HD2      LYS  31  44.372  15.850  20.171
  241    HD3  LYS  31           HD3      LYS  31  42.714  15.567  19.597
  242    HE2  LYS  31           HE2      LYS  31  42.270  17.942  19.463
  243    HE3  LYS  31           HE3      LYS  31  43.825  18.337  20.242
  244    HZ1  LYS  31           HZ1      LYS  31  43.395  17.155  17.560
  245    HZ2  LYS  31           HZ2      LYS  31  44.052  18.616  17.884
  246    HZ3  LYS  31           HZ3      LYS  31  44.880  17.234  18.251
  247    H    LEU  32           H        LEU  32  41.112  19.157  22.974
  248    HA   LEU  32           HA       LEU  32  43.388  19.605  24.603
  249    HB2  LEU  32           HB2      LEU  32  42.272  21.032  22.837
  250    HB3  LEU  32           HB3      LEU  32  41.043  21.400  24.038
  251    HG   LEU  32           HG       LEU  32  42.659  23.179  23.612
  252   HD11  LEU  32          HD11      LEU  32  43.044  22.308  26.478
  253   HD12  LEU  32          HD12      LEU  32  43.068  23.941  25.809
  254   HD13  LEU  32          HD13      LEU  32  41.541  23.038  25.845
  255   HD21  LEU  32          HD21      LEU  32  44.966  23.096  24.325
  256   HD22  LEU  32          HD22      LEU  32  44.767  21.433  24.922
  257   HD23  LEU  32          HD23      LEU  32  44.645  21.777  23.183
  258    H    LEU  33           H        LEU  33  39.913  19.856  25.409
  259    HA   LEU  33           HA       LEU  33  40.246  20.872  28.026
  260    HB2  LEU  33           HB2      LEU  33  38.009  19.267  26.707
  261    HB3  LEU  33           HB3      LEU  33  37.836  19.966  28.311
  262    HG   LEU  33           HG       LEU  33  38.493  21.591  25.831
  263   HD11  LEU  33          HD11      LEU  33  36.218  20.560  25.689
  264   HD12  LEU  33          HD12      LEU  33  35.783  21.542  27.117
  265   HD13  LEU  33          HD13      LEU  33  36.294  22.326  25.621
  266   HD21  LEU  33          HD21      LEU  33  37.673  23.507  27.251
  267   HD22  LEU  33          HD22      LEU  33  37.634  22.388  28.624
  268   HD23  LEU  33          HD23      LEU  33  39.177  22.776  27.818
  269    H    HIS  34           H        HIS  34  40.047  17.500  26.923
  270    HA   HIS  34           HA       HIS  34  40.425  16.353  29.577
  271    HB2  HIS  34           HB2      HIS  34  40.503  15.301  26.723
  272    HB3  HIS  34           HB3      HIS  34  40.982  14.309  28.093
  273    HD1  HIS  34           HD1      HIS  34  39.126  12.707  28.711
  274    HD2  HIS  34           HD2      HIS  34  37.737  16.461  27.422
  275    HE1  HIS  34           HE1      HIS  34  36.596  12.518  28.564
  276    H    ALA  35           H        ALA  35  42.641  17.266  26.845
  277    HA   ALA  35           HA       ALA  35  44.847  15.774  27.946
  278    HB1  ALA  35           HB1      ALA  35  46.177  17.025  26.288
  279    HB2  ALA  35           HB2      ALA  35  44.672  16.427  25.574
  280    HB3  ALA  35           HB3      ALA  35  44.821  18.141  26.019
  281    H    ARG  36           H        ARG  36  43.694  19.008  28.442
  282    HA   ARG  36           HA       ARG  36  45.921  19.742  30.286
  283    HB2  ARG  36           HB2      ARG  36  44.304  21.293  28.297
  284    HB3  ARG  36           HB3      ARG  36  45.266  22.067  29.558
  285    HG2  ARG  36           HG2      ARG  36  46.585  20.070  27.703
  286    HG3  ARG  36           HG3      ARG  36  46.362  21.747  27.203
  287    HD2  ARG  36           HD2      ARG  36  47.652  21.033  29.862
  288    HD3  ARG  36           HD3      ARG  36  48.589  21.164  28.359
  289    HE   ARG  36           HE       ARG  36  47.512  23.490  28.159
  290   HH11  ARG  36          HH12      ARG  36  48.368  22.343  31.416
  291   HH12  ARG  36          HH11      ARG  36  48.005  23.958  32.045
  292   HH21  ARG  36          HH22      ARG  36  47.410  25.319  28.982
  293   HH22  ARG  36          HH21      ARG  36  47.646  25.636  30.712
  294    H    THR  37           H        THR  37  43.468  18.500  30.885
  295    HA   THR  37           HA       THR  37  42.382  18.074  32.815
  296    HB   THR  37           HB       THR  37  43.544  20.217  34.412
  297    HG1  THR  37           HG1      THR  37  45.241  18.385  33.069
  298   HG21  THR  37          HG21      THR  37  43.778  17.180  34.613
  299   HG22  THR  37          HG22      THR  37  42.557  18.187  35.423
  300   HG23  THR  37          HG23      THR  37  44.266  18.352  35.861
  301    H    LYS  38           H        LYS  38  40.880  19.907  31.203
  302    HA   LYS  38           HA       LYS  38  39.626  21.770  33.168
  303    HB2  LYS  38           HB2      LYS  38  39.229  21.155  30.237
  304    HB3  LYS  38           HB3      LYS  38  37.892  21.809  31.175
  305    HG2  LYS  38           HG2      LYS  38  39.149  23.634  30.087
  306    HG3  LYS  38           HG3      LYS  38  39.146  23.743  31.836
  307    HD2  LYS  38           HD2      LYS  38  41.246  24.408  31.219
  308    HD3  LYS  38           HD3      LYS  38  41.484  22.787  31.841
  309    HE2  LYS  38           HE2      LYS  38  41.808  21.877  29.638
  310    HE3  LYS  38           HE3      LYS  38  41.270  23.397  28.872
  311    HZ1  LYS  38           HZ1      LYS  38  43.722  22.976  30.478
  312    HZ2  LYS  38           HZ2      LYS  38  43.680  23.470  28.901
  313    HZ3  LYS  38           HZ3      LYS  38  43.202  24.475  30.043
  314    H    ASP  39           H        ASP  39  38.595  20.803  34.789
  315    HA   ASP  39           HA       ASP  39  37.006  18.509  34.502
  316    HB2  ASP  39           HB2      ASP  39  37.629  19.420  36.695
  317    HB3  ASP  39           HB3      ASP  39  36.475  20.745  36.465
  318    H    ILE  40           H        ILE  40  35.650  18.219  33.048
  319    HA   ILE  40           HA       ILE  40  34.025  20.444  31.927
  320    HB   ILE  40           HB       ILE  40  36.146  19.859  30.827
  321   HG12  ILE  40          HG12      ILE  40  33.643  20.358  29.533
  322   HG13  ILE  40          HG13      ILE  40  35.246  20.922  29.182
  323   HG21  ILE  40          HG21      ILE  40  34.875  17.216  30.023
  324   HG22  ILE  40          HG22      ILE  40  36.486  17.827  29.578
  325   HG23  ILE  40          HG23      ILE  40  36.134  17.418  31.248
  326   HD11  ILE  40          HD11      ILE  40  34.077  18.304  28.130
  327   HD12  ILE  40          HD12      ILE  40  34.186  19.828  27.242
  328   HD13  ILE  40          HD13      ILE  40  35.673  18.993  27.711
  329    H    THR  41           H        THR  41  32.086  20.195  31.020
  330    HA   THR  41           HA       THR  41  31.093  17.513  30.273
  331    HB   THR  41           HB       THR  41  29.806  19.309  32.271
  332    HG1  THR  41           HG1      THR  41  30.582  17.268  32.736
  333   HG21  THR  41          HG21      THR  41  27.537  18.501  31.776
  334   HG22  THR  41          HG22      THR  41  28.094  17.864  30.211
  335   HG23  THR  41          HG23      THR  41  28.140  19.617  30.546
  336    H    VAL  42           H        VAL  42  30.129  17.509  28.294
  337    HA   VAL  42           HA       VAL  42  29.413  20.111  27.081
  338    HB   VAL  42           HB       VAL  42  31.268  19.609  25.942
  339   HG11  VAL  42          HG11      VAL  42  31.977  17.619  24.913
  340   HG12  VAL  42          HG12      VAL  42  31.979  17.666  26.669
  341   HG13  VAL  42          HG13      VAL  42  30.687  16.741  25.807
  342   HG21  VAL  42          HG21      VAL  42  29.399  20.087  24.369
  343   HG22  VAL  42          HG22      VAL  42  30.689  19.120  23.644
  344   HG23  VAL  42          HG23      VAL  42  29.185  18.333  24.153
  345    H    HIS  43           H        HIS  43  27.587  20.382  26.161
  346    HA   HIS  43           HA       HIS  43  25.517  18.255  26.271
  347    HB2  HIS  43           HB2      HIS  43  25.589  21.269  26.491
  348    HB3  HIS  43           HB3      HIS  43  24.141  20.497  25.917
  349    HD1  HIS  43           HD1      HIS  43  22.557  19.527  27.788
  350    HD2  HIS  43           HD2      HIS  43  26.468  20.373  29.064
  351    HE1  HIS  43           HE1      HIS  43  22.559  19.248  30.323
  352    H    TYR  44           H        TYR  44  24.789  17.381  24.421
  353    HA   TYR  44           HA       TYR  44  25.763  18.499  21.849
  354    HB2  TYR  44           HB2      TYR  44  24.689  15.758  22.533
  355    HB3  TYR  44           HB3      TYR  44  25.218  16.271  20.936
  356    HD1  TYR  44           HD2      TYR  44  27.715  17.611  21.180
  357    HD2  TYR  44           HD1      TYR  44  26.233  14.269  23.475
  358    HE1  TYR  44           HE2      TYR  44  30.053  16.955  21.716
  359    HE2  TYR  44           HE1      TYR  44  28.582  13.656  24.066
  360    HH   TYR  44           HH       TYR  44  31.412  15.426  22.769
  361    H    VAL  45           H        VAL  45  24.345  20.164  21.452
  362    HA   VAL  45           HA       VAL  45  21.501  19.856  21.834
  363    HB   VAL  45           HB       VAL  45  21.252  22.088  20.904
  364   HG11  VAL  45          HG11      VAL  45  23.587  21.918  22.853
  365   HG12  VAL  45          HG12      VAL  45  22.455  23.269  22.643
  366   HG13  VAL  45          HG13      VAL  45  21.877  21.722  23.288
  367   HG21  VAL  45          HG21      VAL  45  22.986  22.105  19.173
  368   HG22  VAL  45          HG22      VAL  45  23.219  23.441  20.299
  369   HG23  VAL  45          HG23      VAL  45  24.265  22.015  20.406
  370    H    ASP  46           H        ASP  46  23.339  18.729  19.270
  371    HA   ASP  46           HA       ASP  46  21.229  18.660  17.240
  372    HB2  ASP  46           HB2      ASP  46  23.684  18.475  16.771
  373    HB3  ASP  46           HB3      ASP  46  23.717  16.936  17.620
  374    H    LYS  47           H        LYS  47  21.872  16.954  20.156
  375    HA   LYS  47           HA       LYS  47  20.136  14.596  19.504
  376    HB2  LYS  47           HB2      LYS  47  22.234  14.994  21.683
  377    HB3  LYS  47           HB3      LYS  47  21.334  13.528  21.405
  378    HG2  LYS  47           HG2      LYS  47  23.124  14.672  19.213
  379    HG3  LYS  47           HG3      LYS  47  23.823  13.814  20.570
  380    HD2  LYS  47           HD2      LYS  47  21.718  12.601  18.732
  381    HD3  LYS  47           HD3      LYS  47  23.473  12.403  18.562
  382    HE2  LYS  47           HE2      LYS  47  23.509  11.548  20.974
  383    HE3  LYS  47           HE3      LYS  47  21.736  11.496  20.893
  384    HZ1  LYS  47           HZ1      LYS  47  22.612   9.345  20.294
  385    HZ2  LYS  47           HZ2      LYS  47  21.997  10.011  18.910
  386    HZ3  LYS  47           HZ3      LYS  47  23.616   9.990  19.182
  387    H    MET  48           H        MET  48  20.860  17.011  22.030
  388    HA   MET  48           HA       MET  48  18.820  16.183  23.862
  389    HB2  MET  48           HB2      MET  48  20.951  17.301  24.450
  390    HB3  MET  48           HB3      MET  48  20.426  18.765  23.616
  391    HG2  MET  48           HG2      MET  48  18.575  19.025  25.235
  392    HG3  MET  48           HG3      MET  48  19.087  17.539  26.052
  393    HE1  MET  48           HE1      MET  48  20.032  20.312  28.662
  394    HE2  MET  48           HE2      MET  48  18.658  20.393  27.549
  395    HE3  MET  48           HE3      MET  48  19.072  18.851  28.327
  396    H    SER  49           H        SER  49  16.665  16.556  23.748
  397    HA   SER  49           HA       SER  49  15.353  17.862  21.647
  398    HB2  SER  49           HB2      SER  49  14.279  17.411  24.465
  399    HB3  SER  49           HB3      SER  49  13.327  17.600  22.981
  400    HG   SER  49           HG       SER  49  14.056  15.392  23.954
  401    H    GLU  50           H        GLU  50  16.023  19.144  24.901
  402    HA   GLU  50           HA       GLU  50  14.781  21.703  24.476
  403    HB2  GLU  50           HB2      GLU  50  16.661  20.565  26.560
  404    HB3  GLU  50           HB3      GLU  50  16.171  22.264  26.599
  405    HG2  GLU  50           HG2      GLU  50  13.813  21.652  26.727
  406    HG3  GLU  50           HG3      GLU  50  14.168  19.953  26.442
  407    H    GLY  51           H        GLY  51  17.693  20.537  23.168
  408    HA2  GLY  51           HA2      GLY  51  19.558  22.559  23.276
  409    HA3  GLY  51           HA3      GLY  51  19.287  21.494  21.901
  410    H    GLU  52           H        GLU  52  16.579  22.691  21.332
  411    HA   GLU  52           HA       GLU  52  17.425  24.849  19.570
  412    HB2  GLU  52           HB2      GLU  52  14.650  23.985  20.498
  413    HB3  GLU  52           HB3      GLU  52  14.981  25.088  19.161
  414    HG2  GLU  52           HG2      GLU  52  16.107  23.275  17.931
  415    HG3  GLU  52           HG3      GLU  52  15.817  22.155  19.279
  416    H    GLN  53           H        GLN  53  15.951  24.807  22.822
  417    HA   GLN  53           HA       GLN  53  15.478  27.721  22.884
  418    HB2  GLN  53           HB2      GLN  53  15.425  25.610  25.073
  419    HB3  GLN  53           HB3      GLN  53  15.071  27.326  25.274
  420    HG2  GLN  53           HG2      GLN  53  12.981  26.452  25.048
  421    HG3  GLN  53           HG3      GLN  53  13.282  27.030  23.417
  422   HE21  GLN  53          HE21      GLN  53  13.317  24.116  25.509
  423   HE22  GLN  53          HE22      GLN  53  12.959  22.975  24.200
  424    H    LEU  54           H        LEU  54  17.873  25.407  24.066
  425    HA   LEU  54           HA       LEU  54  19.578  27.274  25.401
  426    HB2  LEU  54           HB2      LEU  54  20.226  24.625  24.067
  427    HB3  LEU  54           HB3      LEU  54  21.348  25.496  25.045
  428    HG   LEU  54           HG       LEU  54  20.548  24.747  26.985
  429   HD11  LEU  54          HD11      LEU  54  18.320  24.438  27.744
  430   HD12  LEU  54          HD12      LEU  54  18.369  25.986  26.915
  431   HD13  LEU  54          HD13      LEU  54  17.653  24.569  26.114
  432   HD21  LEU  54          HD21      LEU  54  19.790  22.554  27.017
  433   HD22  LEU  54          HD22      LEU  54  19.066  22.682  25.414
  434   HD23  LEU  54          HD23      LEU  54  20.841  22.729  25.604
  435    H    ARG  55           H        ARG  55  19.659  26.104  21.999
  436    HA   ARG  55           HA       ARG  55  21.690  27.854  20.981
  437    HB2  ARG  55           HB2      ARG  55  19.160  26.636  19.788
  438    HB3  ARG  55           HB3      ARG  55  20.202  27.693  18.836
  439    HG2  ARG  55           HG2      ARG  55  22.041  26.219  18.946
  440    HG3  ARG  55           HG3      ARG  55  21.344  25.278  20.259
  441    HD2  ARG  55           HD2      ARG  55  21.227  24.008  18.231
  442    HD3  ARG  55           HD3      ARG  55  19.600  24.408  18.761
  443    HE   ARG  55           HE       ARG  55  19.249  25.621  16.809
  444   HH11  ARG  55          HH12      ARG  55  22.739  25.196  17.026
  445   HH12  ARG  55          HH11      ARG  55  22.969  25.571  15.357
  446   HH21  ARG  55          HH22      ARG  55  19.618  25.884  14.615
  447   HH22  ARG  55          HH21      ARG  55  21.243  25.759  14.000
  448    H    GLY  56           H        GLY  56  18.238  28.484  21.626
  449    HA2  GLY  56           HA2      GLY  56  18.172  31.121  20.544
  450    HA3  GLY  56           HA3      GLY  56  17.081  30.486  21.790
  451    H    GLU  57           H        GLU  57  18.934  30.090  23.977
  452    HA   GLU  57           HA       GLU  57  19.357  32.805  24.836
  453    HB2  GLU  57           HB2      GLU  57  20.358  30.125  25.881
  454    HB3  GLU  57           HB3      GLU  57  20.748  31.656  26.644
  455    HG2  GLU  57           HG2      GLU  57  18.124  30.183  26.649
  456    HG3  GLU  57           HG3      GLU  57  19.056  30.946  27.916
  457    H    ILE  58           H        ILE  58  21.620  30.415  23.431
  458    HA   ILE  58           HA       ILE  58  23.962  32.049  23.781
  459    HB   ILE  58           HB       ILE  58  23.438  29.873  21.715
  460   HG12  ILE  58          HG12      ILE  58  24.918  29.649  24.380
  461   HG13  ILE  58          HG13      ILE  58  23.237  29.206  24.169
  462   HG21  ILE  58          HG21      ILE  58  25.871  29.690  21.499
  463   HG22  ILE  58          HG22      ILE  58  25.422  31.350  21.163
  464   HG23  ILE  58          HG23      ILE  58  26.121  30.936  22.741
  465   HD11  ILE  58          HD11      ILE  58  25.587  27.860  22.809
  466   HD12  ILE  58          HD12      ILE  58  24.530  27.204  24.068
  467   HD13  ILE  58          HD13      ILE  58  23.875  27.518  22.451
  468    H    TYR  59           H        TYR  59  21.661  31.724  21.010
  469    HA   TYR  59           HA       TYR  59  23.107  33.554  19.391
  470    HB2  TYR  59           HB2      TYR  59  21.179  31.920  18.740
  471    HB3  TYR  59           HB3      TYR  59  20.128  33.303  19.052
  472    HD1  TYR  59           HD1      TYR  59  20.640  35.522  17.748
  473    HD2  TYR  59           HD2      TYR  59  22.544  31.764  16.860
  474    HE1  TYR  59           HE1      TYR  59  21.505  36.468  15.612
  475    HE2  TYR  59           HE2      TYR  59  23.418  32.716  14.717
  476    HH   TYR  59           HH       TYR  59  22.845  36.096  13.730
  477    H    GLN  60           H        GLN  60  20.360  34.212  21.649
  478    HA   GLN  60           HA       GLN  60  20.126  36.967  20.929
  479    HB2  GLN  60           HB2      GLN  60  19.477  35.481  23.501
  480    HB3  GLN  60           HB3      GLN  60  19.054  37.184  23.229
  481    HG2  GLN  60           HG2      GLN  60  18.087  34.806  21.612
  482    HG3  GLN  60           HG3      GLN  60  17.165  35.668  22.826
  483   HE21  GLN  60          HE21      GLN  60  15.909  37.419  22.103
  484   HE22  GLN  60          HE22      GLN  60  15.978  37.960  20.420
  485    H    ALA  61           H        ALA  61  22.254  35.456  23.395
  486    HA   ALA  61           HA       ALA  61  23.331  38.040  24.201
  487    HB1  ALA  61           HB1      ALA  61  23.015  36.221  25.793
  488    HB2  ALA  61           HB2      ALA  61  24.121  35.180  24.875
  489    HB3  ALA  61           HB3      ALA  61  24.735  36.640  25.682
  490    H    TYR  62           H        TYR  62  24.613  35.351  22.164
  491    HA   TYR  62           HA       TYR  62  27.101  36.951  21.730
  492    HB2  TYR  62           HB2      TYR  62  26.843  33.950  21.594
  493    HB3  TYR  62           HB3      TYR  62  28.313  34.911  21.658
  494    HD1  TYR  62           HD1      TYR  62  28.606  36.451  23.819
  495    HD2  TYR  62           HD2      TYR  62  25.968  33.059  23.564
  496    HE1  TYR  62           HE1      TYR  62  28.547  36.306  26.307
  497    HE2  TYR  62           HE2      TYR  62  25.899  32.919  26.051
  498    HH   TYR  62           HH       TYR  62  27.753  35.155  28.129
  499    H    LYS  63           H        LYS  63  24.404  36.105  20.013
  500    HA   LYS  63           HA       LYS  63  23.811  35.780  17.887
  501    HB2  LYS  63           HB2      LYS  63  26.175  37.527  17.194
  502    HB3  LYS  63           HB3      LYS  63  24.741  37.254  16.212
  503    HG2  LYS  63           HG2      LYS  63  24.747  38.623  18.925
  504    HG3  LYS  63           HG3      LYS  63  24.815  39.456  17.379
  505    HD2  LYS  63           HD2      LYS  63  22.615  38.551  16.747
  506    HD3  LYS  63           HD3      LYS  63  22.484  37.707  18.289
  507    HE2  LYS  63           HE2      LYS  63  22.762  40.721  17.945
  508    HE3  LYS  63           HE3      LYS  63  21.231  39.878  18.196
  509    HZ1  LYS  63           HZ1      LYS  63  21.976  39.218  20.404
  510    HZ2  LYS  63           HZ2      LYS  63  23.470  39.845  20.155
  511    HZ3  LYS  63           HZ3      LYS  63  22.201  40.835  20.252
  512    H    HIS  64           H        HIS  64  25.182  33.606  18.807
  513    HA   HIS  64           HA       HIS  64  26.005  32.410  16.221
  514    HB2  HIS  64           HB2      HIS  64  27.393  31.906  18.886
  515    HB3  HIS  64           HB3      HIS  64  27.643  30.966  17.419
  516    HD1  HIS  64           HD1      HIS  64  28.064  33.356  15.325
  517    HD2  HIS  64           HD2      HIS  64  29.753  32.955  19.160
  518    HE1  HIS  64           HE1      HIS  64  30.233  34.698  15.300
  519    H    GLU  65           H        GLU  65  25.462  30.223  16.004
  520    HA   GLU  65           HA       GLU  65  23.717  29.053  18.144
  521    HB2  GLU  65           HB2      GLU  65  22.499  27.852  16.378
  522    HB3  GLU  65           HB3      GLU  65  22.302  29.570  16.402
  523    HG2  GLU  65           HG2      GLU  65  22.354  29.038  14.159
  524    HG3  GLU  65           HG3      GLU  65  23.903  29.790  14.476
  525    H    THR  66           H        THR  66  26.561  28.615  16.306
  526    HA   THR  66           HA       THR  66  27.410  26.315  17.915
  527    HB   THR  66           HB       THR  66  28.321  25.272  15.699
  528    HG1  THR  66           HG1      THR  66  25.899  26.364  14.726
  529   HG21  THR  66          HG21      THR  66  26.521  23.712  15.519
  530   HG22  THR  66          HG22      THR  66  25.381  24.832  16.289
  531   HG23  THR  66          HG23      THR  66  26.717  24.131  17.224
  532    H    VAL  67           H        VAL  67  29.722  26.031  17.764
  533    HA   VAL  67           HA       VAL  67  31.360  27.641  16.132
  534    HB   VAL  67           HB       VAL  67  32.434  28.505  18.641
  535   HG11  VAL  67          HG11      VAL  67  32.407  30.680  17.585
  536   HG12  VAL  67          HG12      VAL  67  32.914  29.435  16.435
  537   HG13  VAL  67          HG13      VAL  67  31.268  30.102  16.351
  538   HG21  VAL  67          HG21      VAL  67  30.919  30.128  19.472
  539   HG22  VAL  67          HG22      VAL  67  29.703  29.763  18.241
  540   HG23  VAL  67          HG23      VAL  67  30.062  28.586  19.521
  541    HA   PRO  68           HA       PRO  68  30.128  25.189  19.076
  542    HB2  PRO  68           HB2      PRO  68  31.144  23.780  21.141
  543    HB3  PRO  68           HB3      PRO  68  30.903  23.063  19.519
  544    HG2  PRO  68           HG2      PRO  68  33.463  24.244  20.666
  545    HG3  PRO  68           HG3      PRO  68  33.228  22.622  19.931
  546    HD2  PRO  68           HD2      PRO  68  34.157  24.688  18.460
  547    HD3  PRO  68           HD3      PRO  68  32.977  23.545  17.757
  548    H    ALA  69           H        ALA  69  29.472  25.726  21.348
  549    HA   ALA  69           HA       ALA  69  30.685  28.350  22.075
  550    HB1  ALA  69           HB1      ALA  69  28.012  27.066  22.762
  551    HB2  ALA  69           HB2      ALA  69  28.520  28.688  23.251
  552    HB3  ALA  69           HB3      ALA  69  28.295  28.316  21.532
  553    H    ILE  70           H        ILE  70  31.859  28.629  23.919
  554    HA   ILE  70           HA       ILE  70  32.084  26.313  25.804
  555    HB   ILE  70           HB       ILE  70  34.211  28.096  24.567
  556   HG12  ILE  70          HG12      ILE  70  34.057  25.079  24.276
  557   HG13  ILE  70          HG13      ILE  70  33.208  26.134  23.161
  558   HG21  ILE  70          HG21      ILE  70  34.861  27.609  26.868
  559   HG22  ILE  70          HG22      ILE  70  34.536  25.878  26.634
  560   HG23  ILE  70          HG23      ILE  70  35.866  26.675  25.773
  561   HD11  ILE  70          HD11      ILE  70  35.315  27.266  22.550
  562   HD12  ILE  70          HD12      ILE  70  36.206  26.139  23.595
  563   HD13  ILE  70          HD13      ILE  70  35.320  25.529  22.192
  564    H    PHE  71           H        PHE  71  31.982  26.759  27.944
  565    HA   PHE  71           HA       PHE  71  32.182  29.602  28.828
  566    HB2  PHE  71           HB2      PHE  71  30.140  27.523  29.659
  567    HB3  PHE  71           HB3      PHE  71  30.354  29.111  30.385
  568    HD1  PHE  71           HD1      PHE  71  29.446  27.418  27.160
  569    HD2  PHE  71           HD2      PHE  71  29.226  31.011  29.537
  570    HE1  PHE  71           HE1      PHE  71  27.830  28.402  25.545
  571    HE2  PHE  71           HE2      PHE  71  27.560  31.947  27.961
  572    HZ   PHE  71           HZ       PHE  71  26.868  30.643  25.955
  573    H    ILE  72           H        ILE  72  33.320  29.994  30.628
  574    HA   ILE  72           HA       ILE  72  34.258  27.738  32.345
  575    HB   ILE  72           HB       ILE  72  36.118  29.828  31.140
  576   HG12  ILE  72          HG12      ILE  72  35.574  26.940  30.363
  577   HG13  ILE  72          HG13      ILE  72  35.510  28.376  29.348
  578   HG21  ILE  72          HG21      ILE  72  36.652  27.379  32.900
  579   HG22  ILE  72          HG22      ILE  72  37.898  28.445  32.211
  580   HG23  ILE  72          HG23      ILE  72  36.780  29.071  33.406
  581   HD11  ILE  72          HD11      ILE  72  37.982  26.997  30.412
  582   HD12  ILE  72          HD12      ILE  72  37.434  27.124  28.740
  583   HD13  ILE  72          HD13      ILE  72  38.008  28.581  29.583
  584    H    ASN  73           H        ASN  73  33.902  28.216  34.422
  585    HA   ASN  73           HA       ASN  73  33.160  29.345  36.237
  586    HB2  ASN  73           HB2      ASN  73  35.426  31.232  35.461
  587    HB3  ASN  73           HB3      ASN  73  34.635  31.210  37.027
  588   HD21  ASN  73          HD21      ASN  73  37.211  30.928  37.254
  589   HD22  ASN  73          HD22      ASN  73  37.708  29.233  37.398
  590    H    GLY  74           H        GLY  74  31.445  29.780  34.183
  591    HA2  GLY  74           HA2      GLY  74  29.747  31.116  33.397
  592    HA3  GLY  74           HA3      GLY  74  30.046  32.209  34.721
  593    H    ASN  75           H        ASN  75  32.851  32.024  32.728
  594    HA   ASN  75           HA       ASN  75  32.217  34.533  31.253
  595    HB2  ASN  75           HB2      ASN  75  34.806  32.914  31.376
  596    HB3  ASN  75           HB3      ASN  75  34.624  34.504  30.695
  597   HD21  ASN  75          HD21      ASN  75  34.830  32.728  33.684
  598   HD22  ASN  75          HD22      ASN  75  35.205  34.180  34.633
  599    H    PHE  76           H        PHE  76  32.131  34.585  28.924
  600    HA   PHE  76           HA       PHE  76  31.799  31.945  27.608
  601    HB2  PHE  76           HB2      PHE  76  29.932  33.414  27.389
  602    HB3  PHE  76           HB3      PHE  76  30.952  34.741  26.840
  603    HD1  PHE  76           HD2      PHE  76  30.087  31.192  25.894
  604    HD2  PHE  76           HD1      PHE  76  31.199  35.128  24.530
  605    HE1  PHE  76           HE2      PHE  76  29.871  30.447  23.546
  606    HE2  PHE  76           HE1      PHE  76  30.973  34.372  22.179
  607    HZ   PHE  76           HZ       PHE  76  30.304  32.031  21.679
  608    H    ILE  77           H        ILE  77  32.890  31.200  25.956
  609    HA   ILE  77           HA       ILE  77  34.918  32.820  24.500
  610    HB   ILE  77           HB       ILE  77  35.223  29.953  25.479
  611   HG12  ILE  77          HG12      ILE  77  36.947  32.348  26.239
  612   HG13  ILE  77          HG13      ILE  77  35.637  31.728  27.243
  613   HG21  ILE  77          HG21      ILE  77  37.081  31.662  23.764
  614   HG22  ILE  77          HG22      ILE  77  37.487  30.065  24.414
  615   HG23  ILE  77          HG23      ILE  77  36.204  30.207  23.237
  616   HD11  ILE  77          HD11      ILE  77  37.637  30.804  28.108
  617   HD12  ILE  77          HD12      ILE  77  36.753  29.489  27.313
  618   HD13  ILE  77          HD13      ILE  77  38.167  30.225  26.520
  619    H    GLY  78           H        GLY  78  34.585  32.684  22.305
  620    HA2  GLY  78           HA2      GLY  78  33.167  30.227  21.249
  621    HA3  GLY  78           HA3      GLY  78  33.053  31.807  20.493
  622    H    GLY  79           H        GLY  79  34.684  28.911  20.511
  623    HA2  GLY  79           HA2      GLY  79  35.638  28.466  18.252
  624    HA3  GLY  79           HA3      GLY  79  36.672  29.867  18.502
  625    H    CYS  80           H        CYS  80  37.131  26.805  18.204
  626    HA   CYS  80           HA       CYS  80  38.220  25.880  20.697
  627    HB2  CYS  80           HB2      CYS  80  38.724  24.944  17.841
  628    HB3  CYS  80           HB3      CYS  80  39.216  24.082  19.309
  629    HG   CYS  80           HG       CYS  80  37.085  22.897  18.495
  630    H    SER  81           H        SER  81  39.786  27.544  17.947
  631    HA   SER  81           HA       SER  81  42.426  27.548  19.127
  632    HB2  SER  81           HB2      SER  81  41.720  27.997  16.673
  633    HB3  SER  81           HB3      SER  81  41.451  29.667  17.216
  634    HG   SER  81           HG       SER  81  43.515  29.680  16.648
  635    H    ASP  82           H        ASP  82  39.601  29.633  19.413
  636    HA   ASP  82           HA       ASP  82  40.708  31.834  20.850
  637    HB2  ASP  82           HB2      ASP  82  38.272  31.145  19.716
  638    HB3  ASP  82           HB3      ASP  82  37.876  31.074  21.416
  639    H    LEU  83           H        LEU  83  39.329  28.771  21.969
  640    HA   LEU  83           HA       LEU  83  39.696  29.189  24.817
  641    HB2  LEU  83           HB2      LEU  83  38.137  27.525  24.028
  642    HB3  LEU  83           HB3      LEU  83  39.348  26.775  23.001
  643    HG   LEU  83           HG       LEU  83  40.599  26.002  25.028
  644   HD11  LEU  83          HD11      LEU  83  38.144  27.055  26.493
  645   HD12  LEU  83          HD12      LEU  83  39.393  26.004  27.201
  646   HD13  LEU  83          HD13      LEU  83  39.808  27.645  26.678
  647   HD21  LEU  83          HD21      LEU  83  38.951  24.578  23.818
  648   HD22  LEU  83          HD22      LEU  83  39.151  24.178  25.523
  649   HD23  LEU  83          HD23      LEU  83  37.711  25.079  24.992
  650    H    GLU  84           H        GLU  84  41.674  27.586  22.301
  651    HA   GLU  84           HA       GLU  84  43.803  26.774  24.038
  652    HB2  GLU  84           HB2      GLU  84  43.626  27.211  21.046
  653    HB3  GLU  84           HB3      GLU  84  45.136  26.719  21.844
  654    HG2  GLU  84           HG2      GLU  84  44.221  24.708  22.656
  655    HG3  GLU  84           HG3      GLU  84  42.571  25.187  22.255
  656    H    ALA  85           H        ALA  85  43.188  29.876  22.418
  657    HA   ALA  85           HA       ALA  85  45.750  31.051  22.731
  658    HB1  ALA  85           HB1      ALA  85  42.956  32.292  22.945
  659    HB2  ALA  85           HB2      ALA  85  44.466  33.192  22.688
  660    HB3  ALA  85           HB3      ALA  85  43.888  32.055  21.456
  661    H    LEU  86           H        LEU  86  43.110  30.731  25.122
  662    HA   LEU  86           HA       LEU  86  44.553  32.143  27.232
  663    HB2  LEU  86           HB2      LEU  86  42.126  30.312  27.345
  664    HB3  LEU  86           HB3      LEU  86  42.732  31.304  28.669
  665    HG   LEU  86           HG       LEU  86  41.580  32.338  26.044
  666   HD11  LEU  86          HD11      LEU  86  39.958  31.390  27.661
  667   HD12  LEU  86          HD12      LEU  86  40.547  32.513  28.907
  668   HD13  LEU  86          HD13      LEU  86  39.751  33.134  27.442
  669   HD21  LEU  86          HD21      LEU  86  42.612  33.889  28.466
  670   HD22  LEU  86          HD22      LEU  86  43.295  33.922  26.815
  671   HD23  LEU  86          HD23      LEU  86  41.692  34.577  27.116
  672    H    ASP  87           H        ASP  87  44.372  28.821  26.152
  673    HA   ASP  87           HA       ASP  87  45.649  27.618  28.452
  674    HB2  ASP  87           HB2      ASP  87  44.162  26.530  26.605
  675    HB3  ASP  87           HB3      ASP  87  45.617  26.515  25.619
  676    H    LYS  88           H        LYS  88  46.901  28.914  25.365
  677    HA   LYS  88           HA       LYS  88  49.707  28.319  26.004
  678    HB2  LYS  88           HB2      LYS  88  48.382  30.023  23.874
  679    HB3  LYS  88           HB3      LYS  88  50.117  30.049  24.162
  680    HG2  LYS  88           HG2      LYS  88  49.866  28.526  22.435
  681    HG3  LYS  88           HG3      LYS  88  50.176  27.535  23.858
  682    HD2  LYS  88           HD2      LYS  88  47.735  27.005  23.998
  683    HD3  LYS  88           HD3      LYS  88  47.448  28.100  22.630
  684    HE2  LYS  88           HE2      LYS  88  47.365  25.864  21.829
  685    HE3  LYS  88           HE3      LYS  88  48.779  26.667  21.152
  686    HZ1  LYS  88           HZ1      LYS  88  50.182  25.449  22.604
  687    HZ2  LYS  88           HZ2      LYS  88  48.934  24.906  23.546
  688    HZ3  LYS  88           HZ3      LYS  88  49.115  24.349  22.012
  689    H    GLU  89           H        GLU  89  47.740  31.299  26.235
  690    HA   GLU  89           HA       GLU  89  49.906  32.773  27.466
  691    HB2  GLU  89           HB2      GLU  89  46.941  33.317  27.118
  692    HB3  GLU  89           HB3      GLU  89  48.013  34.463  27.901
  693    HG2  GLU  89           HG2      GLU  89  48.506  33.437  25.076
  694    HG3  GLU  89           HG3      GLU  89  47.585  34.891  25.451
  695    H    GLY  90           H        GLY  90  48.394  30.260  28.894
  696    HA2  GLY  90           HA2      GLY  90  48.460  29.523  31.079
  697    HA3  GLY  90           HA3      GLY  90  49.384  30.971  31.483
  698    H    LYS  91           H        LYS  91  46.424  31.937  30.149
  699    HA   LYS  91           HA       LYS  91  45.474  32.827  32.797
  700    HB2  LYS  91           HB2      LYS  91  44.798  33.416  29.881
  701    HB3  LYS  91           HB3      LYS  91  43.808  33.996  31.209
  702    HG2  LYS  91           HG2      LYS  91  45.840  35.082  32.220
  703    HG3  LYS  91           HG3      LYS  91  46.757  34.643  30.777
  704    HD2  LYS  91           HD2      LYS  91  44.259  36.392  30.791
  705    HD3  LYS  91           HD3      LYS  91  45.910  37.008  30.829
  706    HE2  LYS  91           HE2      LYS  91  46.395  36.004  28.633
  707    HE3  LYS  91           HE3      LYS  91  44.766  35.300  28.581
  708    HZ1  LYS  91           HZ1      LYS  91  44.812  37.338  27.329
  709    HZ2  LYS  91           HZ2      LYS  91  43.861  37.542  28.629
  710    HZ3  LYS  91           HZ3      LYS  91  45.377  38.209  28.601
  711    H    LEU  92           H        LEU  92  44.777  30.285  30.567
  712    HA   LEU  92           HA       LEU  92  42.221  29.553  31.765
  713    HB2  LEU  92           HB2      LEU  92  42.918  28.970  29.462
  714    HB3  LEU  92           HB3      LEU  92  44.209  27.962  30.095
  715    HG   LEU  92           HG       LEU  92  42.675  26.351  30.982
  716   HD11  LEU  92          HD11      LEU  92  40.200  26.584  30.742
  717   HD12  LEU  92          HD12      LEU  92  40.870  27.733  31.887
  718   HD13  LEU  92          HD13      LEU  92  40.428  28.279  30.251
  719   HD21  LEU  92          HD21      LEU  92  41.397  25.717  28.920
  720   HD22  LEU  92          HD22      LEU  92  41.724  27.321  28.252
  721   HD23  LEU  92          HD23      LEU  92  43.064  26.218  28.566
  722    H    ASP  93           H        ASP  93  45.670  28.595  32.253
  723    HA   ASP  93           HA       ASP  93  45.204  26.681  34.314
  724    HB2  ASP  93           HB2      ASP  93  47.543  28.570  33.824
  725    HB3  ASP  93           HB3      ASP  93  47.525  27.230  34.950
  726    H    GLY  94           H        GLY  94  45.422  30.254  34.451
  727    HA2  GLY  94           HA2      GLY  94  45.099  30.493  37.300
  728    HA3  GLY  94           HA3      GLY  94  44.727  31.731  36.091
  729    H    LEU  95           H        LEU  95  42.713  29.934  34.710
  730    HA   LEU  95           HA       LEU  95  40.408  30.422  36.467
  731    HB2  LEU  95           HB2      LEU  95  40.781  29.385  33.642
  732    HB3  LEU  95           HB3      LEU  95  39.221  29.346  34.442
  733    HG   LEU  95           HG       LEU  95  40.823  31.916  34.104
  734   HD11  LEU  95          HD11      LEU  95  39.357  32.421  32.201
  735   HD12  LEU  95          HD12      LEU  95  40.302  30.962  31.885
  736   HD13  LEU  95          HD13      LEU  95  38.586  30.828  32.341
  737   HD21  LEU  95          HD21      LEU  95  37.869  31.411  34.678
  738   HD22  LEU  95          HD22      LEU  95  39.065  32.033  35.838
  739   HD23  LEU  95          HD23      LEU  95  38.624  32.999  34.432
  740    H    LEU  96           H        LEU  96  42.391  27.669  35.540
  741    HA   LEU  96           HA       LEU  96  40.784  25.674  36.974
  742    HB2  LEU  96           HB2      LEU  96  43.679  25.651  36.026
  743    HB3  LEU  96           HB3      LEU  96  42.831  24.246  36.658
  744    HG   LEU  96           HG       LEU  96  42.019  25.683  34.108
  745   HD11  LEU  96          HD11      LEU  96  43.065  23.787  32.979
  746   HD12  LEU  96          HD12      LEU  96  44.258  24.569  34.008
  747   HD13  LEU  96          HD13      LEU  96  43.499  23.054  34.532
  748   HD21  LEU  96          HD21      LEU  96  40.148  24.487  35.243
  749   HD22  LEU  96          HD22      LEU  96  40.623  23.719  33.739
  750   HD23  LEU  96          HD23      LEU  96  41.138  23.014  35.280
  751    H    SER  97           H        SER  97  42.585  28.256  38.054
  752    HA   SER  97           HA       SER  97  43.355  26.996  40.657
  753    HB2  SER  97           HB2      SER  97  44.409  29.544  39.389
  754    HB3  SER  97           HB3      SER  97  44.956  28.794  40.899
  755    HG   SER  97           HG       SER  97  45.159  27.781  38.235
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1   6.102  23.704  40.206
    2    H2   GLY   1           H2       GLY   1   7.062  24.671  41.140
    3    H3   GLY   1           H3       GLY   1   6.826  23.102  41.564
    4    HA2  GLY   1           HA2      GLY   1   8.973  23.270  40.653
    5    HA3  GLY   1           HA3      GLY   1   7.930  22.360  39.535
    6    H    ALA   2           H        ALA   2  10.330  24.354  39.421
    7    HA   ALA   2           HA       ALA   2   9.291  26.381  37.549
    8    HB1  ALA   2           HB1      ALA   2  10.676  26.972  39.541
    9    HB2  ALA   2           HB2      ALA   2  12.026  26.045  38.849
   10    HB3  ALA   2           HB3      ALA   2  11.404  27.485  38.018
   11    H    MET   3           H        MET   3  10.758  26.978  35.690
   12    HA   MET   3           HA       MET   3  11.821  24.583  34.242
   13    HB2  MET   3           HB2      MET   3   9.844  26.570  33.073
   14    HB3  MET   3           HB3      MET   3  10.683  25.275  32.213
   15    HG2  MET   3           HG2      MET   3   8.678  24.254  32.619
   16    HG3  MET   3           HG3      MET   3   9.616  23.697  34.001
   17    HE1  MET   3           HE1      MET   3   7.810  23.086  35.718
   18    HE2  MET   3           HE2      MET   3   6.232  23.897  35.777
   19    HE3  MET   3           HE3      MET   3   6.775  23.122  34.271
   20    HA   PRO   4           HA       PRO   4  14.765  28.173  33.946
   21    HB2  PRO   4           HB2      PRO   4  17.059  26.845  34.689
   22    HB3  PRO   4           HB3      PRO   4  15.890  27.535  35.847
   23    HG2  PRO   4           HG2      PRO   4  16.064  24.674  34.856
   24    HG3  PRO   4           HG3      PRO   4  15.959  25.254  36.549
   25    HD2  PRO   4           HD2      PRO   4  13.761  24.429  35.206
   26    HD3  PRO   4           HD3      PRO   4  13.685  25.829  36.313
   27    H    SER   5           H        SER   5  17.057  28.097  32.844
   28    HA   SER   5           HA       SER   5  16.982  26.536  30.308
   29    HB2  SER   5           HB2      SER   5  17.807  29.416  30.415
   30    HB3  SER   5           HB3      SER   5  17.396  28.459  28.996
   31    HG   SER   5           HG       SER   5  15.238  28.608  29.523
   32    H    ILE   6           H        ILE   6  19.360  27.543  29.183
   33    HA   ILE   6           HA       ILE   6  21.112  25.784  30.571
   34    HB   ILE   6           HB       ILE   6  22.745  26.129  28.984
   35   HG12  ILE   6          HG12      ILE   6  21.338  28.656  28.222
   36   HG13  ILE   6          HG13      ILE   6  23.014  28.444  28.672
   37   HG21  ILE   6          HG21      ILE   6  20.274  26.260  27.436
   38   HG22  ILE   6          HG22      ILE   6  21.734  25.300  27.139
   39   HG23  ILE   6          HG23      ILE   6  20.666  24.861  28.481
   40   HD11  ILE   6          HD11      ILE   6  23.408  27.263  26.490
   41   HD12  ILE   6          HD12      ILE   6  21.717  27.586  26.047
   42   HD13  ILE   6          HD13      ILE   6  22.837  28.932  26.304
   43    H    ALA   7           H        ALA   7  20.779  29.240  30.781
   44    HA   ALA   7           HA       ALA   7  23.231  30.074  31.833
   45    HB1  ALA   7           HB1      ALA   7  21.447  31.613  31.289
   46    HB2  ALA   7           HB2      ALA   7  20.392  30.924  32.542
   47    HB3  ALA   7           HB3      ALA   7  21.861  31.820  32.999
   48    H    SER   8           H        SER   8  20.592  28.360  33.583
   49    HA   SER   8           HA       SER   8  21.869  28.432  36.186
   50    HB2  SER   8           HB2      SER   8  19.876  26.466  35.000
   51    HB3  SER   8           HB3      SER   8  20.261  26.651  36.724
   52    HG   SER   8           HG       SER   8  18.697  28.027  36.677
   53    H    MET   9           H        MET   9  22.160  26.209  33.422
   54    HA   MET   9           HA       MET   9  23.528  24.076  34.798
   55    HB2  MET   9           HB2      MET   9  23.706  24.731  31.833
   56    HB3  MET   9           HB3      MET   9  24.004  23.186  32.620
   57    HG2  MET   9           HG2      MET   9  21.613  23.038  33.248
   58    HG3  MET   9           HG3      MET   9  21.316  24.596  32.472
   59    HE1  MET   9           HE1      MET   9  19.488  23.974  30.820
   60    HE2  MET   9           HE2      MET   9  19.455  22.454  29.902
   61    HE3  MET   9           HE3      MET   9  19.406  22.420  31.679
   62    H    ILE  10           H        ILE  10  24.665  27.070  33.237
   63    HA   ILE  10           HA       ILE  10  27.413  26.413  33.038
   64    HB   ILE  10           HB       ILE  10  26.578  29.209  33.764
   65   HG12  ILE  10          HG12      ILE  10  24.909  28.631  32.116
   66   HG13  ILE  10          HG13      ILE  10  26.054  29.781  31.474
   67   HG21  ILE  10          HG21      ILE  10  28.358  29.755  32.082
   68   HG22  ILE  10          HG22      ILE  10  28.961  28.797  33.442
   69   HG23  ILE  10          HG23      ILE  10  28.672  28.017  31.888
   70   HD11  ILE  10          HD11      ILE  10  27.160  28.009  30.160
   71   HD12  ILE  10          HD12      ILE  10  26.056  26.796  30.853
   72   HD13  ILE  10          HD13      ILE  10  25.428  28.095  29.815
   73    H    LYS  11           H        LYS  11  25.539  27.177  35.896
   74    HA   LYS  11           HA       LYS  11  27.927  27.675  37.574
   75    HB2  LYS  11           HB2      LYS  11  24.935  27.587  38.200
   76    HB3  LYS  11           HB3      LYS  11  26.194  27.820  39.408
   77    HG2  LYS  11           HG2      LYS  11  25.558  29.974  39.005
   78    HG3  LYS  11           HG3      LYS  11  26.991  29.837  37.989
   79    HD2  LYS  11           HD2      LYS  11  25.592  29.594  35.989
   80    HD3  LYS  11           HD3      LYS  11  24.123  29.489  36.986
   81    HE2  LYS  11           HE2      LYS  11  24.485  31.788  37.778
   82    HE3  LYS  11           HE3      LYS  11  25.984  31.896  36.836
   83    HZ1  LYS  11           HZ1      LYS  11  23.258  31.504  35.745
   84    HZ2  LYS  11           HZ2      LYS  11  24.144  32.885  35.616
   85    HZ3  LYS  11           HZ3      LYS  11  24.642  31.538  34.829
   86    H    GLY  12           H        GLY  12  26.496  24.882  36.402
   87    HA2  GLY  12           HA2      GLY  12  26.758  23.227  38.799
   88    HA3  GLY  12           HA3      GLY  12  26.305  22.712  37.178
   89    H    ASN  13           H        ASN  13  28.953  24.097  36.189
   90    HA   ASN  13           HA       ASN  13  30.960  22.199  37.270
   91    HB2  ASN  13           HB2      ASN  13  30.427  22.542  34.289
   92    HB3  ASN  13           HB3      ASN  13  31.704  21.574  35.000
   93   HD21  ASN  13          HD21      ASN  13  31.203  19.454  35.836
   94   HD22  ASN  13          HD22      ASN  13  29.612  18.774  35.550
   95    H    LYS  14           H        LYS  14  33.137  22.706  36.697
   96    HA   LYS  14           HA       LYS  14  33.922  25.486  36.785
   97    HB2  LYS  14           HB2      LYS  14  35.153  23.564  37.720
   98    HB3  LYS  14           HB3      LYS  14  35.410  22.928  36.104
   99    HG2  LYS  14           HG2      LYS  14  36.776  24.914  35.512
  100    HG3  LYS  14           HG3      LYS  14  36.559  25.547  37.149
  101    HD2  LYS  14           HD2      LYS  14  37.786  22.817  36.471
  102    HD3  LYS  14           HD3      LYS  14  38.751  24.263  36.715
  103    HE2  LYS  14           HE2      LYS  14  38.197  24.455  38.986
  104    HE3  LYS  14           HE3      LYS  14  36.835  23.330  38.865
  105    HZ1  LYS  14           HZ1      LYS  14  39.687  22.518  38.589
  106    HZ2  LYS  14           HZ2      LYS  14  38.790  22.327  39.920
  107    HZ3  LYS  14           HZ3      LYS  14  38.390  21.509  38.553
  108    H    VAL  15           H        VAL  15  33.824  23.108  34.096
  109    HA   VAL  15           HA       VAL  15  33.726  25.393  32.174
  110    HB   VAL  15           HB       VAL  15  35.101  22.744  31.657
  111   HG11  VAL  15          HG11      VAL  15  34.869  25.269  29.958
  112   HG12  VAL  15          HG12      VAL  15  35.857  23.848  29.574
  113   HG13  VAL  15          HG13      VAL  15  34.103  23.704  29.610
  114   HG21  VAL  15          HG21      VAL  15  36.532  24.010  33.107
  115   HG22  VAL  15          HG22      VAL  15  37.133  24.278  31.463
  116   HG23  VAL  15          HG23      VAL  15  36.168  25.530  32.261
  117    H    VAL  16           H        VAL  16  32.099  25.433  30.771
  118    HA   VAL  16           HA       VAL  16  30.489  22.969  30.306
  119    HB   VAL  16           HB       VAL  16  29.286  25.692  30.892
  120   HG11  VAL  16          HG11      VAL  16  27.971  23.050  30.104
  121   HG12  VAL  16          HG12      VAL  16  27.109  24.487  30.693
  122   HG13  VAL  16          HG13      VAL  16  27.966  24.555  29.153
  123   HG21  VAL  16          HG21      VAL  16  29.212  23.024  32.371
  124   HG22  VAL  16          HG22      VAL  16  29.923  24.550  32.956
  125   HG23  VAL  16          HG23      VAL  16  28.174  24.398  32.764
  126    H    VAL  17           H        VAL  17  30.029  22.578  28.194
  127    HA   VAL  17           HA       VAL  17  30.521  24.748  26.196
  128    HB   VAL  17           HB       VAL  17  31.551  21.891  26.123
  129   HG11  VAL  17          HG11      VAL  17  32.644  22.461  24.018
  130   HG12  VAL  17          HG12      VAL  17  30.899  22.569  23.852
  131   HG13  VAL  17          HG13      VAL  17  31.859  24.063  24.029
  132   HG21  VAL  17          HG21      VAL  17  32.996  24.544  26.290
  133   HG22  VAL  17          HG22      VAL  17  32.943  23.275  27.530
  134   HG23  VAL  17          HG23      VAL  17  33.776  22.971  26.008
  135    H    PHE  18           H        PHE  18  29.220  24.771  24.354
  136    HA   PHE  18           HA       PHE  18  27.045  22.701  24.170
  137    HB2  PHE  18           HB2      PHE  18  26.733  25.604  23.426
  138    HB3  PHE  18           HB3      PHE  18  25.516  24.347  23.371
  139    HD1  PHE  18           HD1      PHE  18  24.447  23.513  25.438
  140    HD2  PHE  18           HD2      PHE  18  27.435  26.610  25.541
  141    HE1  PHE  18           HE1      PHE  18  23.759  24.098  27.755
  142    HE2  PHE  18           HE2      PHE  18  26.704  27.243  27.830
  143    HZ   PHE  18           HZ       PHE  18  24.830  26.027  28.913
  144    H    SER  19           H        SER  19  26.726  21.795  22.230
  145    HA   SER  19           HA       SER  19  28.438  22.569  19.905
  146    HB2  SER  19           HB2      SER  19  28.539  19.933  21.432
  147    HB3  SER  19           HB3      SER  19  29.501  20.358  19.995
  148    HG   SER  19           HG       SER  19  30.723  20.754  21.794
  149    H    TRP  20           H        TRP  20  28.324  20.882  18.099
  150    HA   TRP  20           HA       TRP  20  25.590  19.709  17.820
  151    HB2  TRP  20           HB2      TRP  20  26.659  21.961  16.274
  152    HB3  TRP  20           HB3      TRP  20  26.276  20.601  15.255
  153    HD1  TRP  20           HD1      TRP  20  24.141  21.563  18.324
  154    HE1  TRP  20           HE1      TRP  20  21.761  22.158  17.513
  155    HE3  TRP  20           HE3      TRP  20  24.961  21.566  13.265
  156    HZ2  TRP  20           HZ2      TRP  20  20.437  22.665  15.037
  157    HZ3  TRP  20           HZ3      TRP  20  23.123  22.167  11.705
  158    HH2  TRP  20           HH2      TRP  20  20.860  22.706  12.572
  159    H    VAL  21           H        VAL  21  25.449  17.815  16.599
  160    HA   VAL  21           HA       VAL  21  28.005  16.386  16.464
  161    HB   VAL  21           HB       VAL  21  25.210  15.315  16.142
  162   HG11  VAL  21          HG11      VAL  21  26.352  13.107  16.420
  163   HG12  VAL  21          HG12      VAL  21  26.773  13.882  14.904
  164   HG13  VAL  21          HG13      VAL  21  27.921  13.910  16.269
  165   HG21  VAL  21          HG21      VAL  21  25.785  14.268  18.361
  166   HG22  VAL  21          HG22      VAL  21  27.253  15.244  18.411
  167   HG23  VAL  21          HG23      VAL  21  25.654  16.028  18.431
  168    H    THR  22           H        THR  22  28.281  16.107  12.874
  169    HA   THR  22           HA       THR  22  29.678  16.096  15.538
  170    HB   THR  22           HB       THR  22  30.514  15.009  12.858
  171    HG1  THR  22           HG1      THR  22  29.362  13.451  13.839
  172   HG21  THR  22          HG21      THR  22  32.506  15.926  13.971
  173   HG22  THR  22          HG22      THR  22  32.511  14.165  14.045
  174   HG23  THR  22          HG23      THR  22  32.057  15.096  15.483
  175    H    CYS  23           H        CYS  23  31.210  17.590  15.933
  176    HA   CYS  23           HA       CYS  23  31.280  19.950  14.075
  177    HB2  CYS  23           HB2      CYS  23  30.027  20.483  16.022
  178    HB3  CYS  23           HB3      CYS  23  31.271  19.806  17.089
  179    HG   CYS  23           HG       CYS  23  31.254  22.452  15.102
  180    HA   PRO  24           HA       PRO  24  35.528  18.440  13.931
  181    HB2  PRO  24           HB2      PRO  24  35.799  20.909  12.224
  182    HB3  PRO  24           HB3      PRO  24  36.472  19.268  11.962
  183    HG2  PRO  24           HG2      PRO  24  34.263  20.036  10.605
  184    HG3  PRO  24           HG3      PRO  24  34.316  18.405  11.358
  185    HD2  PRO  24           HD2      PRO  24  33.014  20.926  12.428
  186    HD3  PRO  24           HD3      PRO  24  32.367  19.259  12.342
  187    H    TYR  25           H        TYR  25  34.517  21.584  15.090
  188    HA   TYR  25           HA       TYR  25  37.102  22.039  16.447
  189    HB2  TYR  25           HB2      TYR  25  34.465  23.536  16.508
  190    HB3  TYR  25           HB3      TYR  25  35.903  24.008  17.395
  191    HD1  TYR  25           HD2      TYR  25  38.173  23.783  15.678
  192    HD2  TYR  25           HD1      TYR  25  34.143  24.939  14.610
  193    HE1  TYR  25           HE2      TYR  25  39.038  24.982  13.677
  194    HE2  TYR  25           HE1      TYR  25  35.015  26.107  12.602
  195    HH   TYR  25           HH       TYR  25  36.856  26.637  11.362
  196    H    CYS  26           H        CYS  26  33.823  20.912  17.405
  197    HA   CYS  26           HA       CYS  26  34.436  21.074  20.185
  198    HB2  CYS  26           HB2      CYS  26  32.215  20.990  19.227
  199    HB3  CYS  26           HB3      CYS  26  32.369  19.249  18.902
  200    HG   CYS  26           HG       CYS  26  32.956  18.517  21.374
  201    H    VAL  27           H        VAL  27  34.984  18.391  17.926
  202    HA   VAL  27           HA       VAL  27  35.987  16.390  19.594
  203    HB   VAL  27           HB       VAL  27  35.803  16.360  17.299
  204   HG11  VAL  27          HG11      VAL  27  38.231  17.786  16.614
  205   HG12  VAL  27          HG12      VAL  27  36.995  17.044  15.583
  206   HG13  VAL  27          HG13      VAL  27  36.535  18.408  16.605
  207   HG21  VAL  27          HG21      VAL  27  37.262  14.642  18.432
  208   HG22  VAL  27          HG22      VAL  27  37.757  14.901  16.752
  209   HG23  VAL  27          HG23      VAL  27  38.676  15.662  18.074
  210    H    ARG  28           H        ARG  28  37.681  18.764  18.074
  211    HA   ARG  28           HA       ARG  28  40.250  18.750  19.369
  212    HB2  ARG  28           HB2      ARG  28  39.029  21.432  18.564
  213    HB3  ARG  28           HB3      ARG  28  40.707  21.057  18.861
  214    HG2  ARG  28           HG2      ARG  28  40.515  19.404  16.887
  215    HG3  ARG  28           HG3      ARG  28  38.985  20.251  16.551
  216    HD2  ARG  28           HD2      ARG  28  40.274  22.433  16.592
  217    HD3  ARG  28           HD3      ARG  28  41.768  21.474  16.638
  218    HE   ARG  28           HE       ARG  28  40.268  20.466  14.487
  219   HH11  ARG  28          HH12      ARG  28  41.711  23.637  15.155
  220   HH12  ARG  28          HH11      ARG  28  41.766  23.953  13.417
  221   HH21  ARG  28          HH22      ARG  28  40.315  21.046  12.467
  222   HH22  ARG  28          HH21      ARG  28  41.017  22.604  11.979
  223    H    ALA  29           H        ALA  29  37.524  20.841  20.310
  224    HA   ALA  29           HA       ALA  29  38.778  21.923  22.609
  225    HB1  ALA  29           HB1      ALA  29  36.553  22.671  23.268
  226    HB2  ALA  29           HB2      ALA  29  36.806  22.931  21.526
  227    HB3  ALA  29           HB3      ALA  29  35.798  21.573  22.089
  228    H    GLU  30           H        GLU  30  36.421  19.120  22.521
  229    HA   GLU  30           HA       GLU  30  36.594  18.580  25.334
  230    HB2  GLU  30           HB2      GLU  30  36.076  16.716  22.990
  231    HB3  GLU  30           HB3      GLU  30  35.882  16.277  24.696
  232    HG2  GLU  30           HG2      GLU  30  34.161  18.023  24.963
  233    HG3  GLU  30           HG3      GLU  30  34.312  18.476  23.259
  234    H    LYS  31           H        LYS  31  38.723  17.534  22.710
  235    HA   LYS  31           HA       LYS  31  40.189  15.688  24.337
  236    HB2  LYS  31           HB2      LYS  31  40.100  15.490  21.904
  237    HB3  LYS  31           HB3      LYS  31  40.734  17.118  21.694
  238    HG2  LYS  31           HG2      LYS  31  42.931  16.310  22.719
  239    HG3  LYS  31           HG3      LYS  31  42.235  14.680  22.733
  240    HD2  LYS  31           HD2      LYS  31  43.586  14.904  20.765
  241    HD3  LYS  31           HD3      LYS  31  41.878  14.885  20.256
  242    HE2  LYS  31           HE2      LYS  31  41.851  17.223  19.838
  243    HE3  LYS  31           HE3      LYS  31  43.352  17.516  20.719
  244    HZ1  LYS  31           HZ1      LYS  31  43.587  17.515  18.251
  245    HZ2  LYS  31           HZ2      LYS  31  44.574  16.421  18.947
  246    HZ3  LYS  31           HZ3      LYS  31  43.184  15.928  18.198
  247    H    LEU  32           H        LEU  32  40.725  19.047  23.412
  248    HA   LEU  32           HA       LEU  32  43.225  19.538  24.742
  249    HB2  LEU  32           HB2      LEU  32  42.074  20.739  22.877
  250    HB3  LEU  32           HB3      LEU  32  40.926  21.333  24.083
  251    HG   LEU  32           HG       LEU  32  42.512  22.987  23.329
  252   HD11  LEU  32          HD11      LEU  32  43.227  23.948  25.403
  253   HD12  LEU  32          HD12      LEU  32  41.637  23.201  25.624
  254   HD13  LEU  32          HD13      LEU  32  43.097  22.395  26.240
  255   HD21  LEU  32          HD21      LEU  32  44.864  22.948  23.731
  256   HD22  LEU  32          HD22      LEU  32  44.750  21.377  24.578
  257   HD23  LEU  32          HD23      LEU  32  44.402  21.490  22.844
  258    H    LEU  33           H        LEU  33  39.801  20.082  25.751
  259    HA   LEU  33           HA       LEU  33  40.431  21.179  28.303
  260    HB2  LEU  33           HB2      LEU  33  37.931  19.772  27.255
  261    HB3  LEU  33           HB3      LEU  33  37.981  20.610  28.801
  262    HG   LEU  33           HG       LEU  33  38.508  21.938  26.122
  263   HD11  LEU  33          HD11      LEU  33  36.387  22.946  26.162
  264   HD12  LEU  33          HD12      LEU  33  36.194  21.193  26.244
  265   HD13  LEU  33          HD13      LEU  33  35.983  22.195  27.709
  266   HD21  LEU  33          HD21      LEU  33  38.003  23.134  28.862
  267   HD22  LEU  33          HD22      LEU  33  39.554  23.172  27.981
  268   HD23  LEU  33          HD23      LEU  33  38.158  24.056  27.359
  269    H    HIS  34           H        HIS  34  39.638  17.810  27.373
  270    HA   HIS  34           HA       HIS  34  40.056  16.585  29.913
  271    HB2  HIS  34           HB2      HIS  34  40.387  15.638  27.034
  272    HB3  HIS  34           HB3      HIS  34  40.717  14.594  28.409
  273    HD1  HIS  34           HD1      HIS  34  38.786  13.042  27.209
  274    HD2  HIS  34           HD2      HIS  34  37.593  16.669  28.969
  275    HE1  HIS  34           HE1      HIS  34  36.263  12.892  27.526
  276    H    ALA  35           H        ALA  35  42.426  17.451  27.291
  277    HA   ALA  35           HA       ALA  35  44.601  16.108  28.672
  278    HB1  ALA  35           HB1      ALA  35  44.639  18.266  26.514
  279    HB2  ALA  35           HB2      ALA  35  46.019  17.270  27.020
  280    HB3  ALA  35           HB3      ALA  35  44.622  16.510  26.246
  281    H    ARG  36           H        ARG  36  43.252  19.343  28.810
  282    HA   ARG  36           HA       ARG  36  45.483  20.449  30.432
  283    HB2  ARG  36           HB2      ARG  36  43.142  21.582  28.921
  284    HB3  ARG  36           HB3      ARG  36  43.809  22.514  30.224
  285    HG2  ARG  36           HG2      ARG  36  44.824  23.235  28.168
  286    HG3  ARG  36           HG3      ARG  36  46.021  22.564  29.274
  287    HD2  ARG  36           HD2      ARG  36  45.972  20.431  27.973
  288    HD3  ARG  36           HD3      ARG  36  44.834  21.154  26.852
  289    HE   ARG  36           HE       ARG  36  46.800  22.984  26.722
  290   HH11  ARG  36          HH22      ARG  36  47.614  19.650  27.164
  291   HH12  ARG  36          HH21      ARG  36  48.657  19.586  25.764
  292   HH21  ARG  36          HH12      ARG  36  48.278  22.966  25.125
  293   HH22  ARG  36          HH11      ARG  36  49.289  21.554  24.866
  294    H    THR  37           H        THR  37  43.069  18.598  31.380
  295    HA   THR  37           HA       THR  37  42.555  17.992  33.566
  296    HB   THR  37           HB       THR  37  43.338  20.627  34.721
  297    HG1  THR  37           HG1      THR  37  45.366  20.368  34.135
  298   HG21  THR  37          HG21      THR  37  42.679  19.105  36.437
  299   HG22  THR  37          HG22      THR  37  44.430  19.094  36.512
  300   HG23  THR  37          HG23      THR  37  43.586  17.750  35.721
  301    H    LYS  38           H        LYS  38  40.943  19.886  31.731
  302    HA   LYS  38           HA       LYS  38  39.540  21.646  33.659
  303    HB2  LYS  38           HB2      LYS  38  39.295  21.160  30.706
  304    HB3  LYS  38           HB3      LYS  38  37.961  21.874  31.580
  305    HG2  LYS  38           HG2      LYS  38  39.397  23.583  30.570
  306    HG3  LYS  38           HG3      LYS  38  39.229  23.747  32.300
  307    HD2  LYS  38           HD2      LYS  38  41.668  22.428  31.092
  308    HD3  LYS  38           HD3      LYS  38  41.500  24.183  31.172
  309    HE2  LYS  38           HE2      LYS  38  41.022  23.860  33.708
  310    HE3  LYS  38           HE3      LYS  38  41.668  22.246  33.497
  311    HZ1  LYS  38           HZ1      LYS  38  43.384  23.717  34.185
  312    HZ2  LYS  38           HZ2      LYS  38  43.722  23.176  32.718
  313    HZ3  LYS  38           HZ3      LYS  38  43.181  24.750  32.915
  314    H    ASP  39           H        ASP  39  38.364  20.793  35.065
  315    HA   ASP  39           HA       ASP  39  36.569  18.609  34.763
  316    HB2  ASP  39           HB2      ASP  39  36.456  21.023  36.624
  317    HB3  ASP  39           HB3      ASP  39  35.350  19.661  36.721
  318    H    ILE  40           H        ILE  40  35.347  18.478  33.128
  319    HA   ILE  40           HA       ILE  40  33.888  20.815  32.034
  320    HB   ILE  40           HB       ILE  40  35.940  19.853  30.924
  321   HG12  ILE  40          HG12      ILE  40  33.483  20.746  29.627
  322   HG13  ILE  40          HG13      ILE  40  35.155  21.227  29.433
  323   HG21  ILE  40          HG21      ILE  40  35.799  17.831  29.618
  324   HG22  ILE  40          HG22      ILE  40  35.441  17.471  31.296
  325   HG23  ILE  40          HG23      ILE  40  34.121  17.556  30.114
  326   HD11  ILE  40          HD11      ILE  40  35.561  19.358  27.875
  327   HD12  ILE  40          HD12      ILE  40  33.877  18.808  28.086
  328   HD13  ILE  40          HD13      ILE  40  34.208  20.374  27.341
  329    H    THR  41           H        THR  41  31.909  20.678  31.071
  330    HA   THR  41           HA       THR  41  30.533  18.060  30.686
  331    HB   THR  41           HB       THR  41  29.469  20.484  32.142
  332    HG1  THR  41           HG1      THR  41  30.042  18.622  33.263
  333   HG21  THR  41          HG21      THR  41  27.163  19.720  31.840
  334   HG22  THR  41          HG22      THR  41  27.691  18.522  30.632
  335   HG23  THR  41          HG23      THR  41  27.828  20.274  30.316
  336    H    VAL  42           H        VAL  42  29.918  17.889  28.526
  337    HA   VAL  42           HA       VAL  42  29.139  20.423  27.216
  338    HB   VAL  42           HB       VAL  42  31.029  19.999  26.166
  339   HG11  VAL  42          HG11      VAL  42  31.834  18.076  25.129
  340   HG12  VAL  42          HG12      VAL  42  31.747  17.998  26.876
  341   HG13  VAL  42          HG13      VAL  42  30.534  17.100  25.888
  342   HG21  VAL  42          HG21      VAL  42  30.567  19.518  23.834
  343   HG22  VAL  42          HG22      VAL  42  29.068  18.683  24.264
  344   HG23  VAL  42          HG23      VAL  42  29.222  20.440  24.508
  345    H    HIS  43           H        HIS  43  27.436  20.706  26.210
  346    HA   HIS  43           HA       HIS  43  25.316  18.611  26.095
  347    HB2  HIS  43           HB2      HIS  43  25.427  21.587  26.532
  348    HB3  HIS  43           HB3      HIS  43  24.021  20.932  25.741
  349    HD1  HIS  43           HD1      HIS  43  22.727  18.853  27.319
  350    HD2  HIS  43           HD2      HIS  43  25.546  21.398  29.154
  351    HE1  HIS  43           HE1      HIS  43  22.280  18.737  29.807
  352    H    TYR  44           H        TYR  44  25.402  17.644  24.113
  353    HA   TYR  44           HA       TYR  44  25.732  19.239  21.656
  354    HB2  TYR  44           HB2      TYR  44  25.362  16.308  22.217
  355    HB3  TYR  44           HB3      TYR  44  25.163  16.979  20.614
  356    HD1  TYR  44           HD2      TYR  44  27.702  16.401  23.294
  357    HD2  TYR  44           HD1      TYR  44  26.952  17.904  19.342
  358    HE1  TYR  44           HE2      TYR  44  30.143  16.326  22.808
  359    HE2  TYR  44           HE1      TYR  44  29.390  17.755  18.816
  360    HH   TYR  44           HH       TYR  44  31.797  16.638  21.235
  361    H    VAL  45           H        VAL  45  24.058  20.704  21.609
  362    HA   VAL  45           HA       VAL  45  21.317  20.004  22.153
  363    HB   VAL  45           HB       VAL  45  20.722  22.208  21.271
  364   HG11  VAL  45          HG11      VAL  45  23.035  22.333  23.234
  365   HG12  VAL  45          HG12      VAL  45  21.721  23.514  23.043
  366   HG13  VAL  45          HG13      VAL  45  21.351  21.904  23.649
  367   HG21  VAL  45          HG21      VAL  45  23.694  22.517  20.682
  368   HG22  VAL  45          HG22      VAL  45  22.322  22.641  19.545
  369   HG23  VAL  45          HG23      VAL  45  22.546  23.853  20.798
  370    H    ASP  46           H        ASP  46  23.106  19.233  19.452
  371    HA   ASP  46           HA       ASP  46  20.947  18.958  17.509
  372    HB2  ASP  46           HB2      ASP  46  23.436  18.975  17.025
  373    HB3  ASP  46           HB3      ASP  46  23.553  17.397  17.786
  374    H    LYS  47           H        LYS  47  22.153  17.020  20.249
  375    HA   LYS  47           HA       LYS  47  20.490  14.668  19.512
  376    HB2  LYS  47           HB2      LYS  47  22.598  14.934  21.660
  377    HB3  LYS  47           HB3      LYS  47  21.706  13.477  21.207
  378    HG2  LYS  47           HG2      LYS  47  22.675  14.319  18.743
  379    HG3  LYS  47           HG3      LYS  47  23.958  14.838  19.827
  380    HD2  LYS  47           HD2      LYS  47  22.840  12.016  19.540
  381    HD3  LYS  47           HD3      LYS  47  24.362  12.607  18.878
  382    HE2  LYS  47           HE2      LYS  47  24.879  13.262  21.369
  383    HE3  LYS  47           HE3      LYS  47  23.632  12.077  21.772
  384    HZ1  LYS  47           HZ1      LYS  47  25.859  11.072  21.706
  385    HZ2  LYS  47           HZ2      LYS  47  24.929  10.377  20.581
  386    HZ3  LYS  47           HZ3      LYS  47  26.057  11.482  20.133
  387    H    MET  48           H        MET  48  20.770  17.090  22.029
  388    HA   MET  48           HA       MET  48  18.691  16.118  23.799
  389    HB2  MET  48           HB2      MET  48  20.578  17.640  24.411
  390    HB3  MET  48           HB3      MET  48  19.883  18.892  23.380
  391    HG2  MET  48           HG2      MET  48  17.843  18.895  24.820
  392    HG3  MET  48           HG3      MET  48  18.630  17.703  25.871
  393    HE1  MET  48           HE1      MET  48  17.478  20.196  27.198
  394    HE2  MET  48           HE2      MET  48  18.495  19.018  28.053
  395    HE3  MET  48           HE3      MET  48  18.829  20.757  28.203
  396    H    SER  49           H        SER  49  16.516  16.090  23.295
  397    HA   SER  49           HA       SER  49  15.431  17.127  20.891
  398    HB2  SER  49           HB2      SER  49  14.035  16.251  23.450
  399    HB3  SER  49           HB3      SER  49  13.241  16.545  21.893
  400    HG   SER  49           HG       SER  49  13.612  14.466  21.855
  401    H    GLU  50           H        GLU  50  15.441  18.586  24.117
  402    HA   GLU  50           HA       GLU  50  13.858  20.929  23.353
  403    HB2  GLU  50           HB2      GLU  50  14.192  19.855  25.678
  404    HB3  GLU  50           HB3      GLU  50  15.805  20.586  25.677
  405    HG2  GLU  50           HG2      GLU  50  14.702  22.843  25.518
  406    HG3  GLU  50           HG3      GLU  50  13.129  22.043  25.593
  407    H    GLY  51           H        GLY  51  17.052  20.019  22.689
  408    HA2  GLY  51           HA2      GLY  51  18.700  22.103  23.233
  409    HA3  GLY  51           HA3      GLY  51  18.852  21.029  21.849
  410    H    GLU  52           H        GLU  52  16.204  22.272  20.661
  411    HA   GLU  52           HA       GLU  52  17.509  24.210  18.983
  412    HB2  GLU  52           HB2      GLU  52  15.788  22.736  18.202
  413    HB3  GLU  52           HB3      GLU  52  14.732  23.126  19.560
  414    HG2  GLU  52           HG2      GLU  52  13.956  24.075  17.541
  415    HG3  GLU  52           HG3      GLU  52  14.317  25.303  18.759
  416    H    GLN  53           H        GLN  53  15.504  24.332  21.920
  417    HA   GLN  53           HA       GLN  53  15.017  27.198  21.909
  418    HB2  GLN  53           HB2      GLN  53  14.905  25.147  24.171
  419    HB3  GLN  53           HB3      GLN  53  14.227  26.773  24.209
  420    HG2  GLN  53           HG2      GLN  53  12.678  26.155  22.345
  421    HG3  GLN  53           HG3      GLN  53  13.357  24.526  22.328
  422   HE21  GLN  53          HE21      GLN  53  11.164  23.752  22.706
  423   HE22  GLN  53          HE22      GLN  53  10.521  23.829  24.356
  424    H    LEU  54           H        LEU  54  17.395  25.029  23.409
  425    HA   LEU  54           HA       LEU  54  18.782  27.117  24.878
  426    HB2  LEU  54           HB2      LEU  54  19.674  24.281  24.230
  427    HB3  LEU  54           HB3      LEU  54  20.425  25.382  25.369
  428    HG   LEU  54           HG       LEU  54  19.261  24.064  26.810
  429   HD11  LEU  54          HD11      LEU  54  16.852  25.809  26.257
  430   HD12  LEU  54          HD12      LEU  54  17.435  25.151  27.800
  431   HD13  LEU  54          HD13      LEU  54  18.284  26.489  27.025
  432   HD21  LEU  54          HD21      LEU  54  17.094  23.054  26.525
  433   HD22  LEU  54          HD22      LEU  54  16.949  23.778  24.916
  434   HD23  LEU  54          HD23      LEU  54  18.230  22.584  25.266
  435    H    ARG  55           H        ARG  55  19.279  25.607  21.664
  436    HA   ARG  55           HA       ARG  55  21.625  27.083  20.906
  437    HB2  ARG  55           HB2      ARG  55  20.935  25.074  19.791
  438    HB3  ARG  55           HB3      ARG  55  19.299  25.666  19.548
  439    HG2  ARG  55           HG2      ARG  55  19.958  27.204  17.926
  440    HG3  ARG  55           HG3      ARG  55  21.701  26.868  18.148
  441    HD2  ARG  55           HD2      ARG  55  21.333  24.519  17.480
  442    HD3  ARG  55           HD3      ARG  55  19.612  24.798  17.286
  443    HE   ARG  55           HE       ARG  55  21.819  25.709  15.503
  444   HH11  ARG  55          HH12      ARG  55  18.241  25.448  15.790
  445   HH12  ARG  55          HH11      ARG  55  18.127  25.755  14.079
  446   HH21  ARG  55          HH22      ARG  55  21.402  26.048  13.384
  447   HH22  ARG  55          HH21      ARG  55  19.726  26.009  12.834
  448    H    GLY  56           H        GLY  56  18.135  27.824  20.882
  449    HA2  GLY  56           HA2      GLY  56  18.271  30.446  19.741
  450    HA3  GLY  56           HA3      GLY  56  17.038  29.842  20.853
  451    H    GLU  57           H        GLU  57  18.612  29.365  23.188
  452    HA   GLU  57           HA       GLU  57  18.863  31.959  24.331
  453    HB2  GLU  57           HB2      GLU  57  20.012  29.299  25.235
  454    HB3  GLU  57           HB3      GLU  57  20.257  30.780  26.117
  455    HG2  GLU  57           HG2      GLU  57  17.618  29.391  25.602
  456    HG3  GLU  57           HG3      GLU  57  18.482  29.614  27.120
  457    H    ILE  58           H        ILE  58  21.420  29.837  22.993
  458    HA   ILE  58           HA       ILE  58  23.548  31.723  23.545
  459    HB   ILE  58           HB       ILE  58  23.569  29.522  21.454
  460   HG12  ILE  58          HG12      ILE  58  24.571  29.313  24.338
  461   HG13  ILE  58          HG13      ILE  58  22.990  28.728  23.843
  462   HG21  ILE  58          HG21      ILE  58  25.420  31.197  21.284
  463   HG22  ILE  58          HG22      ILE  58  25.809  30.942  23.003
  464   HG23  ILE  58          HG23      ILE  58  26.038  29.642  21.808
  465   HD11  ILE  58          HD11      ILE  58  24.436  26.864  23.854
  466   HD12  ILE  58          HD12      ILE  58  24.052  27.226  22.163
  467   HD13  ILE  58          HD13      ILE  58  25.639  27.676  22.835
  468    H    TYR  59           H        TYR  59  21.504  31.119  20.602
  469    HA   TYR  59           HA       TYR  59  22.934  33.000  19.034
  470    HB2  TYR  59           HB2      TYR  59  21.218  31.168  18.319
  471    HB3  TYR  59           HB3      TYR  59  20.029  32.460  18.472
  472    HD1  TYR  59           HD1      TYR  59  20.336  34.577  17.023
  473    HD2  TYR  59           HD2      TYR  59  22.808  31.079  16.586
  474    HE1  TYR  59           HE1      TYR  59  21.253  35.483  14.893
  475    HE2  TYR  59           HE2      TYR  59  23.811  32.022  14.509
  476    HH   TYR  59           HH       TYR  59  22.748  35.220  13.209
  477    H    GLN  60           H        GLN  60  19.963  33.517  21.020
  478    HA   GLN  60           HA       GLN  60  19.591  36.234  20.231
  479    HB2  GLN  60           HB2      GLN  60  18.792  34.663  22.710
  480    HB3  GLN  60           HB3      GLN  60  18.292  36.335  22.462
  481    HG2  GLN  60           HG2      GLN  60  17.686  34.160  20.410
  482    HG3  GLN  60           HG3      GLN  60  16.638  34.511  21.776
  483   HE21  GLN  60          HE21      GLN  60  15.070  36.080  21.483
  484   HE22  GLN  60          HE22      GLN  60  15.092  37.217  20.142
  485    H    ALA  61           H        ALA  61  21.679  34.879  22.764
  486    HA   ALA  61           HA       ALA  61  22.431  37.534  23.773
  487    HB1  ALA  61           HB1      ALA  61  23.848  36.179  25.298
  488    HB2  ALA  61           HB2      ALA  61  22.148  35.675  25.305
  489    HB3  ALA  61           HB3      ALA  61  23.359  34.711  24.429
  490    H    TYR  62           H        TYR  62  24.068  34.969  21.841
  491    HA   TYR  62           HA       TYR  62  26.465  36.735  21.571
  492    HB2  TYR  62           HB2      TYR  62  26.304  33.705  21.594
  493    HB3  TYR  62           HB3      TYR  62  27.767  34.668  21.502
  494    HD1  TYR  62           HD2      TYR  62  28.303  36.300  23.435
  495    HD2  TYR  62           HD1      TYR  62  25.428  33.102  23.716
  496    HE1  TYR  62           HE2      TYR  62  28.445  36.386  25.907
  497    HE2  TYR  62           HE1      TYR  62  25.600  33.147  26.186
  498    HH   TYR  62           HH       TYR  62  26.501  34.248  28.021
  499    H    LYS  63           H        LYS  63  23.974  35.628  19.647
  500    HA   LYS  63           HA       LYS  63  23.657  35.095  17.489
  501    HB2  LYS  63           HB2      LYS  63  25.952  36.996  16.937
  502    HB3  LYS  63           HB3      LYS  63  24.638  36.580  15.840
  503    HG2  LYS  63           HG2      LYS  63  24.294  38.068  18.482
  504    HG3  LYS  63           HG3      LYS  63  24.463  38.837  16.922
  505    HD2  LYS  63           HD2      LYS  63  22.223  36.865  17.477
  506    HD3  LYS  63           HD3      LYS  63  22.083  38.564  17.901
  507    HE2  LYS  63           HE2      LYS  63  22.776  37.656  15.075
  508    HE3  LYS  63           HE3      LYS  63  21.109  37.788  15.654
  509    HZ1  LYS  63           HZ1      LYS  63  21.737  39.806  14.575
  510    HZ2  LYS  63           HZ2      LYS  63  21.473  40.108  16.143
  511    HZ3  LYS  63           HZ3      LYS  63  23.029  40.052  15.564
  512    H    HIS  64           H        HIS  64  24.931  33.075  18.641
  513    HA   HIS  64           HA       HIS  64  26.313  31.827  16.330
  514    HB2  HIS  64           HB2      HIS  64  27.202  31.595  19.236
  515    HB3  HIS  64           HB3      HIS  64  27.742  30.535  17.937
  516    HD1  HIS  64           HD1      HIS  64  28.555  32.567  15.693
  517    HD2  HIS  64           HD2      HIS  64  29.336  32.931  19.816
  518    HE1  HIS  64           HE1      HIS  64  30.539  34.150  15.915
  519    H    GLU  65           H        GLU  65  25.894  29.632  16.092
  520    HA   GLU  65           HA       GLU  65  23.885  28.403  17.947
  521    HB2  GLU  65           HB2      GLU  65  23.137  27.054  16.019
  522    HB3  GLU  65           HB3      GLU  65  22.731  28.761  15.927
  523    HG2  GLU  65           HG2      GLU  65  24.435  29.167  14.253
  524    HG3  GLU  65           HG3      GLU  65  25.102  27.536  14.463
  525    H    THR  66           H        THR  66  26.884  27.816  16.103
  526    HA   THR  66           HA       THR  66  27.805  26.406  18.419
  527    HB   THR  66           HB       THR  66  27.151  24.702  16.032
  528    HG1  THR  66           HG1      THR  66  26.050  24.797  18.074
  529   HG21  THR  66          HG21      THR  66  29.595  24.297  16.205
  530   HG22  THR  66          HG22      THR  66  28.668  22.922  16.784
  531   HG23  THR  66          HG23      THR  66  29.416  24.012  17.960
  532    H    VAL  67           H        VAL  67  29.973  26.418  18.583
  533    HA   VAL  67           HA       VAL  67  31.699  27.325  16.337
  534    HB   VAL  67           HB       VAL  67  31.334  28.718  19.003
  535   HG11  VAL  67          HG11      VAL  67  33.533  29.205  16.957
  536   HG12  VAL  67          HG12      VAL  67  33.146  30.264  18.329
  537   HG13  VAL  67          HG13      VAL  67  33.754  28.634  18.631
  538   HG21  VAL  67          HG21      VAL  67  29.798  29.461  17.244
  539   HG22  VAL  67          HG22      VAL  67  30.998  30.709  17.564
  540   HG23  VAL  67          HG23      VAL  67  31.152  29.683  16.123
  541    HA   PRO  68           HA       PRO  68  30.480  25.241  19.548
  542    HB2  PRO  68           HB2      PRO  68  31.376  24.155  21.792
  543    HB3  PRO  68           HB3      PRO  68  31.365  23.245  20.254
  544    HG2  PRO  68           HG2      PRO  68  33.703  24.767  21.469
  545    HG3  PRO  68           HG3      PRO  68  33.665  23.051  20.950
  546    HD2  PRO  68           HD2      PRO  68  34.567  24.984  19.286
  547    HD3  PRO  68           HD3      PRO  68  33.553  23.653  18.658
  548    H    ALA  69           H        ALA  69  29.663  26.075  21.677
  549    HA   ALA  69           HA       ALA  69  30.871  28.741  22.297
  550    HB1  ALA  69           HB1      ALA  69  28.704  29.168  23.413
  551    HB2  ALA  69           HB2      ALA  69  28.481  28.706  21.712
  552    HB3  ALA  69           HB3      ALA  69  28.169  27.526  23.006
  553    H    ILE  70           H        ILE  70  32.067  29.010  24.137
  554    HA   ILE  70           HA       ILE  70  32.241  26.691  26.016
  555    HB   ILE  70           HB       ILE  70  34.404  28.510  24.899
  556   HG12  ILE  70          HG12      ILE  70  34.348  25.515  24.468
  557   HG13  ILE  70          HG13      ILE  70  33.388  26.540  23.416
  558   HG21  ILE  70          HG21      ILE  70  36.011  26.988  26.064
  559   HG22  ILE  70          HG22      ILE  70  35.004  27.907  27.174
  560   HG23  ILE  70          HG23      ILE  70  34.642  26.194  26.866
  561   HD11  ILE  70          HD11      ILE  70  35.349  27.833  22.739
  562   HD12  ILE  70          HD12      ILE  70  36.381  26.856  23.801
  563   HD13  ILE  70          HD13      ILE  70  35.572  26.104  22.417
  564    H    PHE  71           H        PHE  71  32.159  27.075  28.151
  565    HA   PHE  71           HA       PHE  71  32.380  29.880  29.109
  566    HB2  PHE  71           HB2      PHE  71  30.352  27.783  29.931
  567    HB3  PHE  71           HB3      PHE  71  30.568  29.348  30.707
  568    HD1  PHE  71           HD1      PHE  71  29.510  27.678  27.534
  569    HD2  PHE  71           HD2      PHE  71  29.633  31.366  29.767
  570    HE1  PHE  71           HE1      PHE  71  27.962  28.735  25.896
  571    HE2  PHE  71           HE2      PHE  71  28.066  32.391  28.148
  572    HZ   PHE  71           HZ       PHE  71  27.206  31.071  26.216
  573    H    ILE  72           H        ILE  72  33.603  30.224  30.868
  574    HA   ILE  72           HA       ILE  72  34.586  27.893  32.492
  575    HB   ILE  72           HB       ILE  72  36.210  30.320  31.620
  576   HG12  ILE  72          HG12      ILE  72  36.477  27.372  30.841
  577   HG13  ILE  72          HG13      ILE  72  35.950  28.677  29.785
  578   HG21  ILE  72          HG21      ILE  72  38.079  29.203  32.851
  579   HG22  ILE  72          HG22      ILE  72  36.765  29.566  33.933
  580   HG23  ILE  72          HG23      ILE  72  36.969  27.902  33.354
  581   HD11  ILE  72          HD11      ILE  72  38.744  28.310  30.938
  582   HD12  ILE  72          HD12      ILE  72  38.231  28.200  29.248
  583   HD13  ILE  72          HD13      ILE  72  38.205  29.771  30.077
  584    H    ASN  73           H        ASN  73  33.892  28.078  34.522
  585    HA   ASN  73           HA       ASN  73  32.908  28.914  36.377
  586    HB2  ASN  73           HB2      ASN  73  35.060  31.039  36.099
  587    HB3  ASN  73           HB3      ASN  73  34.163  30.692  37.565
  588   HD21  ASN  73          HD21      ASN  73  37.118  30.255  36.353
  589   HD22  ASN  73          HD22      ASN  73  37.504  28.717  37.112
  590    H    GLY  74           H        GLY  74  31.367  29.581  34.192
  591    HA2  GLY  74           HA2      GLY  74  29.439  30.870  33.797
  592    HA3  GLY  74           HA3      GLY  74  29.943  32.005  35.017
  593    H    ASN  75           H        ASN  75  32.622  32.023  33.112
  594    HA   ASN  75           HA       ASN  75  31.695  34.443  31.662
  595    HB2  ASN  75           HB2      ASN  75  34.458  33.292  32.189
  596    HB3  ASN  75           HB3      ASN  75  34.165  34.813  31.390
  597   HD21  ASN  75          HD21      ASN  75  35.564  34.166  33.971
  598   HD22  ASN  75          HD22      ASN  75  34.721  35.131  35.191
  599    H    PHE  76           H        PHE  76  31.806  34.719  29.443
  600    HA   PHE  76           HA       PHE  76  31.819  32.243  27.860
  601    HB2  PHE  76           HB2      PHE  76  29.954  33.746  27.613
  602    HB3  PHE  76           HB3      PHE  76  31.018  35.088  27.215
  603    HD1  PHE  76           HD2      PHE  76  30.394  31.550  26.006
  604    HD2  PHE  76           HD1      PHE  76  31.210  35.651  24.947
  605    HE1  PHE  76           HE2      PHE  76  30.335  30.949  23.607
  606    HE2  PHE  76           HE1      PHE  76  31.141  35.042  22.547
  607    HZ   PHE  76           HZ       PHE  76  30.709  32.690  21.868
  608    H    ILE  77           H        ILE  77  33.166  31.567  26.425
  609    HA   ILE  77           HA       ILE  77  35.224  33.307  25.153
  610    HB   ILE  77           HB       ILE  77  35.553  30.418  26.089
  611   HG12  ILE  77          HG12      ILE  77  37.666  31.420  27.195
  612   HG13  ILE  77          HG13      ILE  77  36.908  32.993  27.001
  613   HG21  ILE  77          HG21      ILE  77  36.610  30.715  23.882
  614   HG22  ILE  77          HG22      ILE  77  37.462  32.159  24.476
  615   HG23  ILE  77          HG23      ILE  77  37.835  30.554  25.127
  616   HD11  ILE  77          HD11      ILE  77  35.182  32.399  28.595
  617   HD12  ILE  77          HD12      ILE  77  35.600  30.672  28.496
  618   HD13  ILE  77          HD13      ILE  77  36.702  31.829  29.269
  619    H    GLY  78           H        GLY  78  34.998  33.300  22.954
  620    HA2  GLY  78           HA2      GLY  78  33.565  30.975  21.664
  621    HA3  GLY  78           HA3      GLY  78  33.460  32.628  21.092
  622    H    GLY  79           H        GLY  79  34.948  29.741  20.658
  623    HA2  GLY  79           HA2      GLY  79  35.919  29.596  18.332
  624    HA3  GLY  79           HA3      GLY  79  37.048  30.847  18.839
  625    H    CYS  80           H        CYS  80  37.231  27.785  18.111
  626    HA   CYS  80           HA       CYS  80  38.402  26.525  20.437
  627    HB2  CYS  80           HB2      CYS  80  37.632  25.340  18.365
  628    HB3  CYS  80           HB3      CYS  80  39.019  26.011  17.492
  629    HG   CYS  80           HG       CYS  80  40.879  24.996  19.084
  630    H    SER  81           H        SER  81  39.865  28.430  17.758
  631    HA   SER  81           HA       SER  81  42.522  28.495  18.763
  632    HB2  SER  81           HB2      SER  81  41.914  29.172  16.496
  633    HB3  SER  81           HB3      SER  81  40.998  30.555  17.124
  634    HG   SER  81           HG       SER  81  42.756  31.623  17.279
  635    H    ASP  82           H        ASP  82  39.700  30.408  19.730
  636    HA   ASP  82           HA       ASP  82  41.113  32.451  21.202
  637    HB2  ASP  82           HB2      ASP  82  38.643  32.212  20.218
  638    HB3  ASP  82           HB3      ASP  82  38.266  31.599  21.802
  639    H    LEU  83           H        LEU  83  39.572  29.386  22.070
  640    HA   LEU  83           HA       LEU  83  40.242  29.396  24.896
  641    HB2  LEU  83           HB2      LEU  83  38.477  27.967  24.068
  642    HB3  LEU  83           HB3      LEU  83  39.544  27.223  22.885
  643    HG   LEU  83           HG       LEU  83  40.871  26.189  24.733
  644   HD11  LEU  83          HD11      LEU  83  38.603  27.226  26.491
  645   HD12  LEU  83          HD12      LEU  83  39.851  26.060  26.988
  646   HD13  LEU  83          HD13      LEU  83  40.308  27.718  26.582
  647   HD21  LEU  83          HD21      LEU  83  39.070  24.967  23.548
  648   HD22  LEU  83          HD22      LEU  83  39.311  24.422  25.210
  649   HD23  LEU  83          HD23      LEU  83  37.926  25.463  24.816
  650    H    GLU  84           H        GLU  84  41.861  27.913  22.041
  651    HA   GLU  84           HA       GLU  84  44.092  26.897  23.530
  652    HB2  GLU  84           HB2      GLU  84  43.848  27.515  20.571
  653    HB3  GLU  84           HB3      GLU  84  45.151  26.576  21.339
  654    HG2  GLU  84           HG2      GLU  84  43.675  24.846  22.041
  655    HG3  GLU  84           HG3      GLU  84  42.237  25.717  21.545
  656    H    ALA  85           H        ALA  85  43.526  30.121  22.133
  657    HA   ALA  85           HA       ALA  85  46.191  31.077  22.280
  658    HB1  ALA  85           HB1      ALA  85  45.079  33.329  22.436
  659    HB2  ALA  85           HB2      ALA  85  44.389  32.317  21.159
  660    HB3  ALA  85           HB3      ALA  85  43.518  32.517  22.686
  661    H    LEU  86           H        LEU  86  43.731  30.783  24.850
  662    HA   LEU  86           HA       LEU  86  45.306  31.968  26.971
  663    HB2  LEU  86           HB2      LEU  86  42.970  30.010  27.023
  664    HB3  LEU  86           HB3      LEU  86  43.642  30.782  28.446
  665    HG   LEU  86           HG       LEU  86  42.442  32.352  26.133
  666   HD11  LEU  86          HD11      LEU  86  40.440  32.585  27.538
  667   HD12  LEU  86          HD12      LEU  86  40.733  30.892  27.120
  668   HD13  LEU  86          HD13      LEU  86  41.142  31.487  28.749
  669   HD21  LEU  86          HD21      LEU  86  42.291  34.159  27.802
  670   HD22  LEU  86          HD22      LEU  86  43.026  33.111  29.032
  671   HD23  LEU  86          HD23      LEU  86  43.969  33.646  27.614
  672    H    ASP  87           H        ASP  87  45.047  28.684  25.637
  673    HA   ASP  87           HA       ASP  87  46.596  27.326  27.639
  674    HB2  ASP  87           HB2      ASP  87  45.208  26.175  25.945
  675    HB3  ASP  87           HB3      ASP  87  46.347  26.652  24.695
  676    H    LYS  88           H        LYS  88  47.537  28.928  24.605
  677    HA   LYS  88           HA       LYS  88  50.397  28.592  24.906
  678    HB2  LYS  88           HB2      LYS  88  48.613  30.379  23.229
  679    HB3  LYS  88           HB3      LYS  88  50.344  30.694  23.315
  680    HG2  LYS  88           HG2      LYS  88  50.060  29.395  21.412
  681    HG3  LYS  88           HG3      LYS  88  50.790  28.329  22.614
  682    HD2  LYS  88           HD2      LYS  88  48.547  27.271  23.019
  683    HD3  LYS  88           HD3      LYS  88  47.842  28.404  21.825
  684    HE2  LYS  88           HE2      LYS  88  49.451  27.624  20.128
  685    HE3  LYS  88           HE3      LYS  88  50.077  26.414  21.264
  686    HZ1  LYS  88           HZ1      LYS  88  48.511  25.401  19.803
  687    HZ2  LYS  88           HZ2      LYS  88  47.772  25.456  21.261
  688    HZ3  LYS  88           HZ3      LYS  88  47.368  26.513  20.049
  689    H    GLU  89           H        GLU  89  48.260  31.210  26.025
  690    HA   GLU  89           HA       GLU  89  50.486  32.763  27.141
  691    HB2  GLU  89           HB2      GLU  89  47.463  32.962  27.421
  692    HB3  GLU  89           HB3      GLU  89  48.600  34.081  28.188
  693    HG2  GLU  89           HG2      GLU  89  49.500  34.773  26.057
  694    HG3  GLU  89           HG3      GLU  89  48.450  33.659  25.185
  695    H    GLY  90           H        GLY  90  49.364  29.838  28.152
  696    HA2  GLY  90           HA2      GLY  90  49.798  28.668  30.094
  697    HA3  GLY  90           HA3      GLY  90  50.592  30.102  30.748
  698    H    LYS  91           H        LYS  91  47.406  30.808  29.733
  699    HA   LYS  91           HA       LYS  91  46.668  31.434  32.528
  700    HB2  LYS  91           HB2      LYS  91  45.831  32.311  29.734
  701    HB3  LYS  91           HB3      LYS  91  44.830  32.674  31.126
  702    HG2  LYS  91           HG2      LYS  91  46.564  33.979  32.183
  703    HG3  LYS  91           HG3      LYS  91  47.760  33.443  31.011
  704    HD2  LYS  91           HD2      LYS  91  47.081  35.742  30.544
  705    HD3  LYS  91           HD3      LYS  91  46.688  34.662  29.219
  706    HE2  LYS  91           HE2      LYS  91  44.906  36.199  29.443
  707    HE3  LYS  91           HE3      LYS  91  44.319  34.606  29.916
  708    HZ1  LYS  91           HZ1      LYS  91  44.541  35.279  32.244
  709    HZ2  LYS  91           HZ2      LYS  91  45.120  36.755  31.818
  710    HZ3  LYS  91           HZ3      LYS  91  43.571  36.311  31.453
  711    H    LEU  92           H        LEU  92  45.819  29.061  30.130
  712    HA   LEU  92           HA       LEU  92  43.178  28.506  31.329
  713    HB2  LEU  92           HB2      LEU  92  43.754  28.205  28.877
  714    HB3  LEU  92           HB3      LEU  92  44.912  26.964  29.324
  715    HG   LEU  92           HG       LEU  92  43.102  25.526  30.171
  716   HD11  LEU  92          HD11      LEU  92  41.247  27.740  29.187
  717   HD12  LEU  92          HD12      LEU  92  40.724  26.109  29.642
  718   HD13  LEU  92          HD13      LEU  92  41.420  27.179  30.865
  719   HD21  LEU  92          HD21      LEU  92  42.102  24.990  27.989
  720   HD22  LEU  92          HD22      LEU  92  42.601  26.576  27.357
  721   HD23  LEU  92          HD23      LEU  92  43.823  25.377  27.819
  722    H    ASP  93           H        ASP  93  46.459  27.245  31.558
  723    HA   ASP  93           HA       ASP  93  45.772  25.431  33.762
  724    HB2  ASP  93           HB2      ASP  93  48.406  26.631  32.798
  725    HB3  ASP  93           HB3      ASP  93  48.228  25.429  34.058
  726    H    GLY  94           H        GLY  94  47.052  28.792  33.472
  727    HA2  GLY  94           HA2      GLY  94  47.476  29.183  36.233
  728    HA3  GLY  94           HA3      GLY  94  47.308  30.459  35.020
  729    H    LEU  95           H        LEU  95  44.503  29.505  34.445
  730    HA   LEU  95           HA       LEU  95  43.007  30.872  36.563
  731    HB2  LEU  95           HB2      LEU  95  42.388  29.463  33.943
  732    HB3  LEU  95           HB3      LEU  95  41.064  29.862  35.030
  733    HG   LEU  95           HG       LEU  95  43.022  31.936  33.964
  734   HD11  LEU  95          HD11      LEU  95  41.696  30.907  32.136
  735   HD12  LEU  95          HD12      LEU  95  40.197  31.244  33.036
  736   HD13  LEU  95          HD13      LEU  95  41.204  32.579  32.434
  737   HD21  LEU  95          HD21      LEU  95  41.927  32.671  36.027
  738   HD22  LEU  95          HD22      LEU  95  41.236  33.521  34.640
  739   HD23  LEU  95          HD23      LEU  95  40.349  32.177  35.385
  740    H    LEU  96           H        LEU  96  43.567  27.528  35.601
  741    HA   LEU  96           HA       LEU  96  41.459  26.580  37.525
  742    HB2  LEU  96           HB2      LEU  96  42.431  25.591  34.856
  743    HB3  LEU  96           HB3      LEU  96  41.216  24.738  35.775
  744    HG   LEU  96           HG       LEU  96  41.158  27.505  34.461
  745   HD11  LEU  96          HD11      LEU  96  39.146  26.703  33.297
  746   HD12  LEU  96          HD12      LEU  96  40.580  25.753  32.963
  747   HD13  LEU  96          HD13      LEU  96  39.329  25.131  34.101
  748   HD21  LEU  96          HD21      LEU  96  38.974  26.445  36.316
  749   HD22  LEU  96          HD22      LEU  96  39.958  27.889  36.582
  750   HD23  LEU  96          HD23      LEU  96  38.814  27.857  35.253
  751    H    SER  97           H        SER  97  41.562  24.636  38.548
  752    HA   SER  97           HA       SER  97  44.234  23.288  38.737
  753    HB2  SER  97           HB2      SER  97  42.365  23.905  41.047
  754    HB3  SER  97           HB3      SER  97  43.876  22.974  41.136
  755    HG   SER  97           HG       SER  97  43.560  25.712  40.361
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   6.347  26.068  36.263
    2    H2   GLY   1           H2       GLY   1   5.860  27.044  37.495
    3    H3   GLY   1           H3       GLY   1   5.685  25.410  37.619
    4    HA2  GLY   1           HA2      GLY   1   7.529  26.236  38.951
    5    HA3  GLY   1           HA3      GLY   1   8.016  25.058  37.712
    6    H    ALA   2           H        ALA   2  10.010  26.525  38.575
    7    HA   ALA   2           HA       ALA   2  10.216  29.187  37.658
    8    HB1  ALA   2           HB1      ALA   2  11.441  28.259  39.569
    9    HB2  ALA   2           HB2      ALA   2  12.373  27.198  38.481
   10    HB3  ALA   2           HB3      ALA   2  12.566  28.961  38.393
   11    H    MET   3           H        MET   3  11.070  26.241  35.942
   12    HA   MET   3           HA       MET   3  11.992  25.825  33.899
   13    HB2  MET   3           HB2      MET   3  10.331  28.268  33.237
   14    HB3  MET   3           HB3      MET   3  11.044  27.176  32.038
   15    HG2  MET   3           HG2      MET   3   9.827  25.271  33.009
   16    HG3  MET   3           HG3      MET   3   9.063  26.342  34.186
   17    HE1  MET   3           HE1      MET   3   7.151  27.928  33.763
   18    HE2  MET   3           HE2      MET   3   8.147  28.925  32.683
   19    HE3  MET   3           HE3      MET   3   6.529  28.401  32.168
   20    HA   PRO   4           HA       PRO   4  15.586  28.783  34.016
   21    HB2  PRO   4           HB2      PRO   4  17.521  27.060  34.836
   22    HB3  PRO   4           HB3      PRO   4  16.415  27.862  35.992
   23    HG2  PRO   4           HG2      PRO   4  16.147  25.079  34.794
   24    HG3  PRO   4           HG3      PRO   4  16.073  25.546  36.526
   25    HD2  PRO   4           HD2      PRO   4  13.828  25.237  35.008
   26    HD3  PRO   4           HD3      PRO   4  13.931  26.493  36.276
   27    H    SER   5           H        SER   5  17.610  28.489  32.749
   28    HA   SER   5           HA       SER   5  17.473  26.515  30.495
   29    HB2  SER   5           HB2      SER   5  18.026  29.491  30.364
   30    HB3  SER   5           HB3      SER   5  18.346  28.360  29.035
   31    HG   SER   5           HG       SER   5  15.857  28.979  30.242
   32    H    ILE   6           H        ILE   6  19.812  27.097  29.247
   33    HA   ILE   6           HA       ILE   6  21.535  25.446  30.671
   34    HB   ILE   6           HB       ILE   6  23.187  25.840  28.950
   35   HG12  ILE   6          HG12      ILE   6  21.448  28.158  28.136
   36   HG13  ILE   6          HG13      ILE   6  23.131  28.210  28.591
   37   HG21  ILE   6          HG21      ILE   6  21.439  24.267  28.679
   38   HG22  ILE   6          HG22      ILE   6  20.475  25.501  27.876
   39   HG23  ILE   6          HG23      ILE   6  22.008  24.945  27.152
   40   HD11  ILE   6          HD11      ILE   6  23.682  26.949  26.479
   41   HD12  ILE   6          HD12      ILE   6  21.967  27.058  26.029
   42   HD13  ILE   6          HD13      ILE   6  22.929  28.530  26.216
   43    H    ALA   7           H        ALA   7  21.455  28.965  30.858
   44    HA   ALA   7           HA       ALA   7  23.953  29.589  31.896
   45    HB1  ALA   7           HB1      ALA   7  21.209  30.607  32.739
   46    HB2  ALA   7           HB2      ALA   7  22.755  31.411  33.088
   47    HB3  ALA   7           HB3      ALA   7  22.226  31.223  31.414
   48    H    SER   8           H        SER   8  21.322  27.901  33.662
   49    HA   SER   8           HA       SER   8  22.514  28.102  36.294
   50    HB2  SER   8           HB2      SER   8  20.391  26.313  35.094
   51    HB3  SER   8           HB3      SER   8  20.939  26.170  36.782
   52    HG   SER   8           HG       SER   8  20.189  28.096  37.264
   53    H    MET   9           H        MET   9  22.992  25.828  33.620
   54    HA   MET   9           HA       MET   9  24.436  23.775  35.054
   55    HB2  MET   9           HB2      MET   9  24.851  24.667  32.167
   56    HB3  MET   9           HB3      MET   9  25.219  23.107  32.873
   57    HG2  MET   9           HG2      MET   9  22.836  22.606  33.118
   58    HG3  MET   9           HG3      MET   9  22.394  24.217  32.604
   59    HE1  MET   9           HE1      MET   9  24.380  21.028  31.385
   60    HE2  MET   9           HE2      MET   9  24.352  21.247  29.620
   61    HE3  MET   9           HE3      MET   9  25.345  22.322  30.627
   62    H    ILE  10           H        ILE  10  25.299  26.871  33.594
   63    HA   ILE  10           HA       ILE  10  28.135  26.479  33.559
   64    HB   ILE  10           HB       ILE  10  26.910  29.180  33.298
   65   HG12  ILE  10          HG12      ILE  10  26.597  26.735  31.528
   66   HG13  ILE  10          HG13      ILE  10  25.423  27.977  32.003
   67   HG21  ILE  10          HG21      ILE  10  29.433  28.716  33.233
   68   HG22  ILE  10          HG22      ILE  10  29.143  27.714  31.820
   69   HG23  ILE  10          HG23      ILE  10  28.760  29.455  31.774
   70   HD11  ILE  10          HD11      ILE  10  26.613  29.557  30.508
   71   HD12  ILE  10          HD12      ILE  10  27.608  28.153  29.989
   72   HD13  ILE  10          HD13      ILE  10  25.846  28.154  29.699
   73    H    LYS  11           H        LYS  11  25.932  27.692  35.908
   74    HA   LYS  11           HA       LYS  11  28.092  28.406  37.853
   75    HB2  LYS  11           HB2      LYS  11  25.088  28.855  37.786
   76    HB3  LYS  11           HB3      LYS  11  25.946  28.828  39.319
   77    HG2  LYS  11           HG2      LYS  11  25.911  31.084  38.766
   78    HG3  LYS  11           HG3      LYS  11  27.546  30.539  38.442
   79    HD2  LYS  11           HD2      LYS  11  26.958  32.055  36.740
   80    HD3  LYS  11           HD3      LYS  11  26.979  30.470  35.970
   81    HE2  LYS  11           HE2      LYS  11  24.532  30.362  36.025
   82    HE3  LYS  11           HE3      LYS  11  24.460  31.773  37.088
   83    HZ1  LYS  11           HZ1      LYS  11  25.354  31.839  34.249
   84    HZ2  LYS  11           HZ2      LYS  11  23.982  32.524  34.922
   85    HZ3  LYS  11           HZ3      LYS  11  25.443  33.090  35.300
   86    H    GLY  12           H        GLY  12  26.638  25.624  36.817
   87    HA2  GLY  12           HA2      GLY  12  26.589  24.214  39.421
   88    HA3  GLY  12           HA3      GLY  12  26.079  23.599  37.847
   89    H    ASN  13           H        ASN  13  28.546  24.322  36.408
   90    HA   ASN  13           HA       ASN  13  30.671  22.704  37.775
   91    HB2  ASN  13           HB2      ASN  13  30.164  22.668  34.786
   92    HB3  ASN  13           HB3      ASN  13  31.190  21.593  35.724
   93   HD21  ASN  13          HD21      ASN  13  29.584  20.506  37.676
   94   HD22  ASN  13          HD22      ASN  13  28.116  19.861  36.966
   95    H    LYS  14           H        LYS  14  32.865  23.105  36.966
   96    HA   LYS  14           HA       LYS  14  33.377  25.958  36.865
   97    HB2  LYS  14           HB2      LYS  14  34.786  24.375  38.069
   98    HB3  LYS  14           HB3      LYS  14  35.301  23.611  36.568
   99    HG2  LYS  14           HG2      LYS  14  36.730  25.319  36.000
  100    HG3  LYS  14           HG3      LYS  14  35.665  26.573  36.620
  101    HD2  LYS  14           HD2      LYS  14  37.611  26.679  37.942
  102    HD3  LYS  14           HD3      LYS  14  36.345  25.973  38.954
  103    HE2  LYS  14           HE2      LYS  14  37.270  23.692  38.424
  104    HE3  LYS  14           HE3      LYS  14  38.560  24.462  37.495
  105    HZ1  LYS  14           HZ1      LYS  14  38.082  24.838  40.393
  106    HZ2  LYS  14           HZ2      LYS  14  39.264  23.909  39.707
  107    HZ3  LYS  14           HZ3      LYS  14  39.268  25.575  39.561
  108    H    VAL  15           H        VAL  15  33.827  23.401  34.396
  109    HA   VAL  15           HA       VAL  15  33.799  25.569  32.334
  110    HB   VAL  15           HB       VAL  15  35.254  22.923  32.032
  111   HG11  VAL  15          HG11      VAL  15  34.495  23.897  29.897
  112   HG12  VAL  15          HG12      VAL  15  35.238  25.449  30.329
  113   HG13  VAL  15          HG13      VAL  15  36.250  24.016  30.054
  114   HG21  VAL  15          HG21      VAL  15  37.334  24.320  32.127
  115   HG22  VAL  15          HG22      VAL  15  36.344  25.682  32.702
  116   HG23  VAL  15          HG23      VAL  15  36.485  24.200  33.672
  117    H    VAL  16           H        VAL  16  32.256  25.463  30.829
  118    HA   VAL  16           HA       VAL  16  30.726  22.926  30.450
  119    HB   VAL  16           HB       VAL  16  29.432  25.639  30.818
  120   HG11  VAL  16          HG11      VAL  16  28.179  24.258  29.198
  121   HG12  VAL  16          HG12      VAL  16  28.230  22.877  30.322
  122   HG13  VAL  16          HG13      VAL  16  27.314  24.341  30.735
  123   HG21  VAL  16          HG21      VAL  16  28.356  24.447  32.794
  124   HG22  VAL  16          HG22      VAL  16  29.507  23.131  32.556
  125   HG23  VAL  16          HG23      VAL  16  30.085  24.755  32.995
  126    H    VAL  17           H        VAL  17  30.429  22.396  28.369
  127    HA   VAL  17           HA       VAL  17  30.906  24.432  26.222
  128    HB   VAL  17           HB       VAL  17  31.909  21.562  26.492
  129   HG11  VAL  17          HG11      VAL  17  31.178  21.818  24.148
  130   HG12  VAL  17          HG12      VAL  17  32.023  23.381  24.036
  131   HG13  VAL  17          HG13      VAL  17  32.932  21.865  24.241
  132   HG21  VAL  17          HG21      VAL  17  33.278  24.251  26.137
  133   HG22  VAL  17          HG22      VAL  17  33.312  23.221  27.583
  134   HG23  VAL  17          HG23      VAL  17  34.095  22.677  26.094
  135    H    PHE  18           H        PHE  18  29.599  24.379  24.435
  136    HA   PHE  18           HA       PHE  18  27.511  22.232  24.349
  137    HB2  PHE  18           HB2      PHE  18  27.116  25.012  23.240
  138    HB3  PHE  18           HB3      PHE  18  25.955  23.710  23.350
  139    HD1  PHE  18           HD2      PHE  18  24.953  23.075  25.538
  140    HD2  PHE  18           HD1      PHE  18  27.695  26.377  25.198
  141    HE1  PHE  18           HE2      PHE  18  24.273  23.875  27.797
  142    HE2  PHE  18           HE1      PHE  18  26.975  27.195  27.438
  143    HZ   PHE  18           HZ       PHE  18  25.253  25.980  28.711
  144    H    SER  19           H        SER  19  27.585  20.954  22.685
  145    HA   SER  19           HA       SER  19  29.210  21.646  20.279
  146    HB2  SER  19           HB2      SER  19  28.961  19.021  21.781
  147    HB3  SER  19           HB3      SER  19  29.647  19.149  20.142
  148    HG   SER  19           HG       SER  19  31.244  19.179  21.825
  149    H    TRP  20           H        TRP  20  28.680  20.311  18.342
  150    HA   TRP  20           HA       TRP  20  25.841  19.495  18.185
  151    HB2  TRP  20           HB2      TRP  20  26.567  22.033  17.411
  152    HB3  TRP  20           HB3      TRP  20  26.761  21.156  15.904
  153    HD1  TRP  20           HD1      TRP  20  24.134  21.329  18.744
  154    HE1  TRP  20           HE1      TRP  20  21.780  21.596  17.716
  155    HE3  TRP  20           HE3      TRP  20  25.371  21.141  13.760
  156    HZ2  TRP  20           HZ2      TRP  20  20.589  21.521  15.102
  157    HZ3  TRP  20           HZ3      TRP  20  23.600  21.300  12.026
  158    HH2  TRP  20           HH2      TRP  20  21.210  21.494  12.681
  159    H    VAL  21           H        VAL  21  25.351  17.979  16.622
  160    HA   VAL  21           HA       VAL  21  27.638  16.416  15.636
  161    HB   VAL  21           HB       VAL  21  24.686  15.800  15.367
  162   HG11  VAL  21          HG11      VAL  21  25.504  13.471  15.040
  163   HG12  VAL  21          HG12      VAL  21  26.066  14.547  13.767
  164   HG13  VAL  21          HG13      VAL  21  27.180  14.063  15.063
  165   HG21  VAL  21          HG21      VAL  21  25.241  15.871  17.750
  166   HG22  VAL  21          HG22      VAL  21  25.103  14.194  17.237
  167   HG23  VAL  21          HG23      VAL  21  26.714  14.914  17.466
  168    H    THR  22           H        THR  22  27.222  17.270  12.137
  169    HA   THR  22           HA       THR  22  29.106  16.376  14.293
  170    HB   THR  22           HB       THR  22  29.384  16.124  11.283
  171    HG1  THR  22           HG1      THR  22  27.748  14.777  11.952
  172   HG21  THR  22          HG21      THR  22  31.146  14.501  11.834
  173   HG22  THR  22          HG22      THR  22  30.892  14.778  13.562
  174   HG23  THR  22          HG23      THR  22  31.534  16.081  12.534
  175    H    CYS  23           H        CYS  23  30.899  17.756  14.655
  176    HA   CYS  23           HA       CYS  23  31.140  20.178  12.932
  177    HB2  CYS  23           HB2      CYS  23  29.572  20.697  14.762
  178    HB3  CYS  23           HB3      CYS  23  30.822  20.266  15.945
  179    HG   CYS  23           HG       CYS  23  31.059  22.462  13.458
  180    HA   PRO  24           HA       PRO  24  35.137  18.235  13.569
  181    HB2  PRO  24           HB2      PRO  24  36.031  20.387  11.639
  182    HB3  PRO  24           HB3      PRO  24  36.419  18.636  11.632
  183    HG2  PRO  24           HG2      PRO  24  34.553  19.607   9.941
  184    HG3  PRO  24           HG3      PRO  24  34.247  18.074  10.826
  185    HD2  PRO  24           HD2      PRO  24  33.252  20.858  11.485
  186    HD3  PRO  24           HD3      PRO  24  32.365  19.304  11.463
  187    H    TYR  25           H        TYR  25  34.408  21.413  14.497
  188    HA   TYR  25           HA       TYR  25  36.970  21.990  15.848
  189    HB2  TYR  25           HB2      TYR  25  34.173  23.169  15.981
  190    HB3  TYR  25           HB3      TYR  25  35.593  23.901  16.755
  191    HD1  TYR  25           HD2      TYR  25  37.702  23.608  14.648
  192    HD2  TYR  25           HD1      TYR  25  33.614  24.989  14.426
  193    HE1  TYR  25           HE2      TYR  25  38.291  25.046  12.713
  194    HE2  TYR  25           HE1      TYR  25  34.224  26.433  12.485
  195    HH   TYR  25           HH       TYR  25  37.555  26.532  11.152
  196    H    CYS  26           H        CYS  26  33.820  20.664  16.770
  197    HA   CYS  26           HA       CYS  26  33.947  21.321  19.550
  198    HB2  CYS  26           HB2      CYS  26  32.499  19.444  17.741
  199    HB3  CYS  26           HB3      CYS  26  32.329  19.184  19.470
  200    HG   CYS  26           HG       CYS  26  31.237  21.357  20.024
  201    H    VAL  27           H        VAL  27  34.750  18.322  17.852
  202    HA   VAL  27           HA       VAL  27  35.896  16.656  19.676
  203    HB   VAL  27           HB       VAL  27  35.631  16.323  17.463
  204   HG11  VAL  27          HG11      VAL  27  36.623  16.864  15.566
  205   HG12  VAL  27          HG12      VAL  27  36.011  18.276  16.404
  206   HG13  VAL  27          HG13      VAL  27  37.784  17.919  16.388
  207   HG21  VAL  27          HG21      VAL  27  37.602  14.959  16.864
  208   HG22  VAL  27          HG22      VAL  27  38.598  15.931  17.966
  209   HG23  VAL  27          HG23      VAL  27  37.321  14.875  18.611
  210    H    ARG  28           H        ARG  28  37.493  18.868  17.840
  211    HA   ARG  28           HA       ARG  28  40.134  18.883  18.898
  212    HB2  ARG  28           HB2      ARG  28  38.988  21.616  18.227
  213    HB3  ARG  28           HB3      ARG  28  40.662  21.071  18.147
  214    HG2  ARG  28           HG2      ARG  28  39.935  19.527  16.261
  215    HG3  ARG  28           HG3      ARG  28  38.364  20.354  16.350
  216    HD2  ARG  28           HD2      ARG  28  39.466  22.536  15.979
  217    HD3  ARG  28           HD3      ARG  28  41.027  21.717  15.819
  218    HE   ARG  28           HE       ARG  28  39.266  20.475  13.991
  219   HH11  ARG  28          HH12      ARG  28  40.698  23.697  14.292
  220   HH12  ARG  28          HH11      ARG  28  40.626  23.884  12.534
  221   HH21  ARG  28          HH22      ARG  28  39.339  20.837  11.878
  222   HH22  ARG  28          HH21      ARG  28  39.835  22.435  11.276
  223    H    ALA  29           H        ALA  29  37.530  20.991  20.096
  224    HA   ALA  29           HA       ALA  29  39.047  22.011  22.343
  225    HB1  ALA  29           HB1      ALA  29  36.913  22.942  23.085
  226    HB2  ALA  29           HB2      ALA  29  37.167  23.254  21.353
  227    HB3  ALA  29           HB3      ALA  29  36.042  21.974  21.874
  228    H    GLU  30           H        GLU  30  36.459  19.465  22.156
  229    HA   GLU  30           HA       GLU  30  36.447  18.809  24.938
  230    HB2  GLU  30           HB2      GLU  30  35.926  17.059  22.486
  231    HB3  GLU  30           HB3      GLU  30  35.537  16.620  24.153
  232    HG2  GLU  30           HG2      GLU  30  33.954  18.519  24.304
  233    HG3  GLU  30           HG3      GLU  30  34.301  18.975  22.634
  234    H    LYS  31           H        LYS  31  38.580  17.641  22.401
  235    HA   LYS  31           HA       LYS  31  39.975  15.781  24.066
  236    HB2  LYS  31           HB2      LYS  31  39.944  15.621  21.622
  237    HB3  LYS  31           HB3      LYS  31  40.615  17.246  21.487
  238    HG2  LYS  31           HG2      LYS  31  42.764  16.383  22.547
  239    HG3  LYS  31           HG3      LYS  31  42.050  14.759  22.514
  240    HD2  LYS  31           HD2      LYS  31  43.470  15.046  20.573
  241    HD3  LYS  31           HD3      LYS  31  41.776  14.983  20.048
  242    HE2  LYS  31           HE2      LYS  31  41.723  17.459  19.880
  243    HE3  LYS  31           HE3      LYS  31  43.408  17.545  20.419
  244    HZ1  LYS  31           HZ1      LYS  31  42.419  16.227  17.931
  245    HZ2  LYS  31           HZ2      LYS  31  43.254  17.632  18.009
  246    HZ3  LYS  31           HZ3      LYS  31  43.971  16.211  18.410
  247    H    LEU  32           H        LEU  32  40.746  19.150  23.108
  248    HA   LEU  32           HA       LEU  32  43.244  19.430  24.471
  249    HB2  LEU  32           HB2      LEU  32  42.179  20.822  22.688
  250    HB3  LEU  32           HB3      LEU  32  41.074  21.428  23.921
  251    HG   LEU  32           HG       LEU  32  42.792  22.992  23.259
  252   HD11  LEU  32          HD11      LEU  32  41.875  23.111  25.586
  253   HD12  LEU  32          HD12      LEU  32  43.349  22.277  26.147
  254   HD13  LEU  32          HD13      LEU  32  43.468  23.853  25.360
  255   HD21  LEU  32          HD21      LEU  32  44.877  21.205  24.536
  256   HD22  LEU  32          HD22      LEU  32  44.603  21.371  22.787
  257   HD23  LEU  32          HD23      LEU  32  45.123  22.777  23.728
  258    H    LEU  33           H        LEU  33  39.907  20.081  25.550
  259    HA   LEU  33           HA       LEU  33  40.571  21.063  28.136
  260    HB2  LEU  33           HB2      LEU  33  38.068  19.687  27.034
  261    HB3  LEU  33           HB3      LEU  33  38.097  20.474  28.600
  262    HG   LEU  33           HG       LEU  33  38.651  21.882  25.968
  263   HD11  LEU  33          HD11      LEU  33  36.125  22.185  27.525
  264   HD12  LEU  33          HD12      LEU  33  36.552  22.850  25.947
  265   HD13  LEU  33          HD13      LEU  33  36.314  21.108  26.110
  266   HD21  LEU  33          HD21      LEU  33  38.237  23.967  27.265
  267   HD22  LEU  33          HD22      LEU  33  38.206  22.993  28.746
  268   HD23  LEU  33          HD23      LEU  33  39.693  23.103  27.754
  269    H    HIS  34           H        HIS  34  39.778  17.733  27.093
  270    HA   HIS  34           HA       HIS  34  40.264  16.471  29.637
  271    HB2  HIS  34           HB2      HIS  34  40.056  15.597  26.747
  272    HB3  HIS  34           HB3      HIS  34  40.744  14.501  27.933
  273    HD1  HIS  34           HD1      HIS  34  39.027  12.863  28.690
  274    HD2  HIS  34           HD2      HIS  34  37.481  16.724  28.094
  275    HE1  HIS  34           HE1      HIS  34  36.563  12.763  29.379
  276    H    ALA  35           H        ALA  35  42.452  17.350  26.900
  277    HA   ALA  35           HA       ALA  35  44.628  15.713  27.792
  278    HB1  ALA  35           HB1      ALA  35  45.939  17.010  26.170
  279    HB2  ALA  35           HB2      ALA  35  44.363  16.606  25.479
  280    HB3  ALA  35           HB3      ALA  35  44.672  18.246  26.086
  281    H    ARG  36           H        ARG  36  43.617  18.952  28.637
  282    HA   ARG  36           HA       ARG  36  46.007  19.344  30.362
  283    HB2  ARG  36           HB2      ARG  36  44.168  21.271  28.909
  284    HB3  ARG  36           HB3      ARG  36  45.303  21.781  30.135
  285    HG2  ARG  36           HG2      ARG  36  45.923  20.634  27.407
  286    HG3  ARG  36           HG3      ARG  36  46.390  22.192  28.072
  287    HD2  ARG  36           HD2      ARG  36  47.524  19.452  28.638
  288    HD3  ARG  36           HD3      ARG  36  48.387  20.873  28.044
  289    HE   ARG  36           HE       ARG  36  47.935  20.068  30.788
  290   HH11  ARG  36          HH22      ARG  36  48.543  23.100  29.068
  291   HH12  ARG  36          HH21      ARG  36  48.366  23.979  30.583
  292   HH21  ARG  36          HH12      ARG  36  47.832  21.201  32.495
  293   HH22  ARG  36          HH11      ARG  36  47.971  22.959  32.477
  294    H    THR  37           H        THR  37  43.335  18.181  31.059
  295    HA   THR  37           HA       THR  37  42.471  17.625  33.153
  296    HB   THR  37           HB       THR  37  43.673  19.892  34.606
  297    HG1  THR  37           HG1      THR  37  45.611  18.965  34.866
  298   HG21  THR  37          HG21      THR  37  44.104  18.089  36.343
  299   HG22  THR  37          HG22      THR  37  43.463  16.881  35.211
  300   HG23  THR  37          HG23      THR  37  42.406  18.142  35.860
  301    H    LYS  38           H        LYS  38  41.213  19.674  31.342
  302    HA   LYS  38           HA       LYS  38  40.246  21.729  33.188
  303    HB2  LYS  38           HB2      LYS  38  39.607  21.112  30.330
  304    HB3  LYS  38           HB3      LYS  38  38.570  22.129  31.313
  305    HG2  LYS  38           HG2      LYS  38  40.280  23.363  29.908
  306    HG3  LYS  38           HG3      LYS  38  40.238  23.802  31.587
  307    HD2  LYS  38           HD2      LYS  38  42.299  21.742  30.796
  308    HD3  LYS  38           HD3      LYS  38  42.508  23.353  30.162
  309    HE2  LYS  38           HE2      LYS  38  42.187  24.278  32.489
  310    HE3  LYS  38           HE3      LYS  38  42.263  22.606  33.104
  311    HZ1  LYS  38           HZ1      LYS  38  44.497  22.492  32.240
  312    HZ2  LYS  38           HZ2      LYS  38  44.443  24.015  31.630
  313    HZ3  LYS  38           HZ3      LYS  38  44.376  23.726  33.270
  314    H    ASP  39           H        ASP  39  38.926  21.329  34.696
  315    HA   ASP  39           HA       ASP  39  37.260  19.104  34.859
  316    HB2  ASP  39           HB2      ASP  39  38.216  20.475  36.737
  317    HB3  ASP  39           HB3      ASP  39  37.080  21.761  36.365
  318    H    ILE  40           H        ILE  40  35.869  18.763  33.269
  319    HA   ILE  40           HA       ILE  40  34.211  21.002  32.254
  320    HB   ILE  40           HB       ILE  40  36.319  20.430  31.111
  321   HG12  ILE  40          HG12      ILE  40  33.845  21.096  29.909
  322   HG13  ILE  40          HG13      ILE  40  35.487  21.518  29.462
  323   HG21  ILE  40          HG21      ILE  40  36.256  17.980  31.411
  324   HG22  ILE  40          HG22      ILE  40  34.979  17.853  30.208
  325   HG23  ILE  40          HG23      ILE  40  36.593  18.458  29.754
  326   HD11  ILE  40          HD11      ILE  40  35.650  19.624  27.951
  327   HD12  ILE  40          HD12      ILE  40  34.044  19.040  28.472
  328   HD13  ILE  40          HD13      ILE  40  34.199  20.567  27.593
  329    H    THR  41           H        THR  41  32.259  20.824  31.484
  330    HA   THR  41           HA       THR  41  30.901  18.164  31.127
  331    HB   THR  41           HB       THR  41  29.840  20.871  32.028
  332    HG1  THR  41           HG1      THR  41  29.169  19.760  33.769
  333   HG21  THR  41          HG21      THR  41  28.167  20.062  30.492
  334   HG22  THR  41          HG22      THR  41  27.593  19.777  32.134
  335   HG23  THR  41          HG23      THR  41  28.247  18.419  31.190
  336    H    VAL  42           H        VAL  42  30.521  17.799  28.884
  337    HA   VAL  42           HA       VAL  42  29.763  20.169  27.282
  338    HB   VAL  42           HB       VAL  42  31.595  19.584  26.207
  339   HG11  VAL  42          HG11      VAL  42  31.241  16.719  26.837
  340   HG12  VAL  42          HG12      VAL  42  32.468  17.386  25.720
  341   HG13  VAL  42          HG13      VAL  42  32.452  17.930  27.393
  342   HG21  VAL  42          HG21      VAL  42  31.140  18.628  24.105
  343   HG22  VAL  42          HG22      VAL  42  29.740  17.737  24.718
  344   HG23  VAL  42          HG23      VAL  42  29.710  19.519  24.596
  345    H    HIS  43           H        HIS  43  27.940  20.287  26.308
  346    HA   HIS  43           HA       HIS  43  26.019  18.008  26.408
  347    HB2  HIS  43           HB2      HIS  43  25.556  20.085  27.764
  348    HB3  HIS  43           HB3      HIS  43  25.547  21.006  26.282
  349    HD1  HIS  43           HD1      HIS  43  23.691  17.622  26.268
  350    HD2  HIS  43           HD2      HIS  43  23.005  21.740  26.867
  351    HE1  HIS  43           HE1      HIS  43  21.170  17.947  26.270
  352    H    TYR  44           H        TYR  44  25.228  17.221  24.497
  353    HA   TYR  44           HA       TYR  44  25.627  18.758  21.949
  354    HB2  TYR  44           HB2      TYR  44  25.133  15.847  22.497
  355    HB3  TYR  44           HB3      TYR  44  24.788  16.596  20.947
  356    HD1  TYR  44           HD1      TYR  44  27.595  16.206  23.406
  357    HD2  TYR  44           HD2      TYR  44  26.466  17.247  19.413
  358    HE1  TYR  44           HE1      TYR  44  30.002  16.270  22.726
  359    HE2  TYR  44           HE2      TYR  44  28.832  16.988  18.649
  360    HH   TYR  44           HH       TYR  44  31.430  16.810  21.019
  361    H    VAL  45           H        VAL  45  24.070  20.307  22.019
  362    HA   VAL  45           HA       VAL  45  21.307  19.786  22.730
  363    HB   VAL  45           HB       VAL  45  20.827  22.030  21.805
  364   HG11  VAL  45          HG11      VAL  45  21.969  23.299  23.536
  365   HG12  VAL  45          HG12      VAL  45  21.486  21.738  24.187
  366   HG13  VAL  45          HG13      VAL  45  23.190  22.020  23.730
  367   HG21  VAL  45          HG21      VAL  45  22.523  22.215  20.051
  368   HG22  VAL  45          HG22      VAL  45  22.657  23.538  21.197
  369   HG23  VAL  45          HG23      VAL  45  23.826  22.206  21.268
  370    H    ASP  46           H        ASP  46  22.920  18.709  20.074
  371    HA   ASP  46           HA       ASP  46  20.794  18.763  18.074
  372    HB2  ASP  46           HB2      ASP  46  23.127  18.581  17.425
  373    HB3  ASP  46           HB3      ASP  46  23.352  17.169  18.453
  374    H    LYS  47           H        LYS  47  21.532  16.755  20.854
  375    HA   LYS  47           HA       LYS  47  20.401  14.315  19.752
  376    HB2  LYS  47           HB2      LYS  47  21.567  15.095  22.446
  377    HB3  LYS  47           HB3      LYS  47  21.030  13.464  22.105
  378    HG2  LYS  47           HG2      LYS  47  23.167  14.897  20.472
  379    HG3  LYS  47           HG3      LYS  47  23.502  13.852  21.856
  380    HD2  LYS  47           HD2      LYS  47  22.364  11.954  20.696
  381    HD3  LYS  47           HD3      LYS  47  22.036  13.013  19.318
  382    HE2  LYS  47           HE2      LYS  47  24.600  13.378  19.208
  383    HE3  LYS  47           HE3      LYS  47  24.718  11.991  20.302
  384    HZ1  LYS  47           HZ1      LYS  47  23.382  10.731  18.662
  385    HZ2  LYS  47           HZ2      LYS  47  23.389  12.001  17.643
  386    HZ3  LYS  47           HZ3      LYS  47  24.805  11.222  18.006
  387    H    MET  48           H        MET  48  19.267  16.514  22.293
  388    HA   MET  48           HA       MET  48  16.707  14.978  22.385
  389    HB2  MET  48           HB2      MET  48  16.379  15.808  24.626
  390    HB3  MET  48           HB3      MET  48  17.896  14.938  24.454
  391    HG2  MET  48           HG2      MET  48  18.350  16.760  25.852
  392    HG3  MET  48           HG3      MET  48  19.095  17.158  24.307
  393    HE1  MET  48           HE1      MET  48  18.004  20.603  25.928
  394    HE2  MET  48           HE2      MET  48  18.681  19.155  26.699
  395    HE3  MET  48           HE3      MET  48  19.346  19.733  25.152
  396    H    SER  49           H        SER  49  14.709  16.116  22.708
  397    HA   SER  49           HA       SER  49  14.138  17.741  20.532
  398    HB2  SER  49           HB2      SER  49  12.600  17.572  23.155
  399    HB3  SER  49           HB3      SER  49  11.938  18.090  21.594
  400    HG   SER  49           HG       SER  49  11.995  15.668  22.525
  401    H    GLU  50           H        GLU  50  14.738  18.885  23.848
  402    HA   GLU  50           HA       GLU  50  13.749  21.556  23.338
  403    HB2  GLU  50           HB2      GLU  50  15.318  20.372  25.660
  404    HB3  GLU  50           HB3      GLU  50  14.591  21.976  25.680
  405    HG2  GLU  50           HG2      GLU  50  12.344  20.957  25.400
  406    HG3  GLU  50           HG3      GLU  50  13.058  19.351  25.276
  407    H    GLY  51           H        GLY  51  16.863  20.139  22.851
  408    HA2  GLY  51           HA2      GLY  51  18.657  22.128  23.437
  409    HA3  GLY  51           HA3      GLY  51  18.815  20.997  22.101
  410    H    GLU  52           H        GLU  52  16.393  22.227  20.722
  411    HA   GLU  52           HA       GLU  52  17.819  24.188  19.113
  412    HB2  GLU  52           HB2      GLU  52  14.845  23.619  19.250
  413    HB3  GLU  52           HB3      GLU  52  15.677  24.493  17.970
  414    HG2  GLU  52           HG2      GLU  52  16.131  21.547  18.628
  415    HG3  GLU  52           HG3      GLU  52  15.023  22.159  17.417
  416    H    GLN  53           H        GLN  53  15.604  24.429  21.870
  417    HA   GLN  53           HA       GLN  53  15.248  27.328  21.761
  418    HB2  GLN  53           HB2      GLN  53  13.567  25.797  22.727
  419    HB3  GLN  53           HB3      GLN  53  14.737  25.247  23.927
  420    HG2  GLN  53           HG2      GLN  53  14.827  27.564  24.878
  421    HG3  GLN  53           HG3      GLN  53  13.584  28.053  23.723
  422   HE21  GLN  53          HE21      GLN  53  11.395  27.652  24.336
  423   HE22  GLN  53          HE22      GLN  53  11.012  26.817  25.843
  424    H    LEU  54           H        LEU  54  17.404  25.046  23.504
  425    HA   LEU  54           HA       LEU  54  18.682  27.115  25.088
  426    HB2  LEU  54           HB2      LEU  54  19.594  24.269  24.468
  427    HB3  LEU  54           HB3      LEU  54  20.343  25.360  25.633
  428    HG   LEU  54           HG       LEU  54  19.080  23.916  26.930
  429   HD11  LEU  54          HD11      LEU  54  18.689  26.441  27.330
  430   HD12  LEU  54          HD12      LEU  54  17.082  26.172  26.651
  431   HD13  LEU  54          HD13      LEU  54  17.586  25.285  28.111
  432   HD21  LEU  54          HD21      LEU  54  17.639  22.891  25.238
  433   HD22  LEU  54          HD22      LEU  54  16.813  23.276  26.747
  434   HD23  LEU  54          HD23      LEU  54  16.550  24.299  25.335
  435    H    ARG  55           H        ARG  55  19.448  25.615  21.948
  436    HA   ARG  55           HA       ARG  55  21.822  27.086  21.318
  437    HB2  ARG  55           HB2      ARG  55  21.234  25.160  20.106
  438    HB3  ARG  55           HB3      ARG  55  19.563  25.663  19.897
  439    HG2  ARG  55           HG2      ARG  55  20.075  27.218  18.239
  440    HG3  ARG  55           HG3      ARG  55  21.843  27.011  18.439
  441    HD2  ARG  55           HD2      ARG  55  21.722  24.698  17.713
  442    HD3  ARG  55           HD3      ARG  55  19.968  24.691  17.781
  443    HE   ARG  55           HE       ARG  55  21.345  26.525  15.840
  444   HH11  ARG  55          HH12      ARG  55  19.235  23.637  16.123
  445   HH12  ARG  55          HH11      ARG  55  19.103  23.587  14.389
  446   HH21  ARG  55          HH22      ARG  55  21.085  26.309  13.796
  447   HH22  ARG  55          HH21      ARG  55  20.181  24.996  13.074
  448    H    GLY  56           H        GLY  56  18.378  27.973  21.153
  449    HA2  GLY  56           HA2      GLY  56  18.638  30.580  20.032
  450    HA3  GLY  56           HA3      GLY  56  17.361  30.025  21.115
  451    H    GLU  57           H        GLU  57  19.241  29.511  23.438
  452    HA   GLU  57           HA       GLU  57  19.405  32.201  24.558
  453    HB2  GLU  57           HB2      GLU  57  20.713  29.646  25.509
  454    HB3  GLU  57           HB3      GLU  57  20.694  31.167  26.368
  455    HG2  GLU  57           HG2      GLU  57  18.287  29.445  25.695
  456    HG3  GLU  57           HG3      GLU  57  19.035  29.742  27.264
  457    H    ILE  58           H        ILE  58  21.810  29.915  23.204
  458    HA   ILE  58           HA       ILE  58  24.090  31.592  23.564
  459    HB   ILE  58           HB       ILE  58  23.725  29.489  21.394
  460   HG12  ILE  58          HG12      ILE  58  24.766  29.072  24.239
  461   HG13  ILE  58          HG13      ILE  58  23.182  28.552  23.662
  462   HG21  ILE  58          HG21      ILE  58  26.144  29.308  21.412
  463   HG22  ILE  58          HG22      ILE  58  25.761  31.008  21.232
  464   HG23  ILE  58          HG23      ILE  58  26.278  30.395  22.814
  465   HD11  ILE  58          HD11      ILE  58  24.591  26.643  23.659
  466   HD12  ILE  58          HD12      ILE  58  24.300  27.087  21.966
  467   HD13  ILE  58          HD13      ILE  58  25.858  27.470  22.742
  468    H    TYR  59           H        TYR  59  21.836  31.252  20.768
  469    HA   TYR  59           HA       TYR  59  23.284  33.098  19.174
  470    HB2  TYR  59           HB2      TYR  59  21.370  31.363  18.569
  471    HB3  TYR  59           HB3      TYR  59  20.342  32.788  18.696
  472    HD1  TYR  59           HD1      TYR  59  20.972  34.869  17.262
  473    HD2  TYR  59           HD2      TYR  59  22.898  31.032  16.821
  474    HE1  TYR  59           HE1      TYR  59  21.980  35.623  15.107
  475    HE2  TYR  59           HE2      TYR  59  23.897  31.782  14.670
  476    HH   TYR  59           HH       TYR  59  23.422  35.066  13.318
  477    H    GLN  60           H        GLN  60  20.397  33.734  21.264
  478    HA   GLN  60           HA       GLN  60  20.087  36.450  20.484
  479    HB2  GLN  60           HB2      GLN  60  19.455  34.973  23.069
  480    HB3  GLN  60           HB3      GLN  60  19.007  36.663  22.815
  481    HG2  GLN  60           HG2      GLN  60  17.539  36.124  20.988
  482    HG3  GLN  60           HG3      GLN  60  18.106  34.452  20.925
  483   HE21  GLN  60          HE21      GLN  60  17.644  33.060  22.801
  484   HE22  GLN  60          HE22      GLN  60  16.267  33.454  23.864
  485    H    ALA  61           H        ALA  61  22.203  35.052  23.034
  486    HA   ALA  61           HA       ALA  61  23.140  37.689  23.878
  487    HB1  ALA  61           HB1      ALA  61  24.591  36.328  25.350
  488    HB2  ALA  61           HB2      ALA  61  22.885  35.850  25.441
  489    HB3  ALA  61           HB3      ALA  61  24.016  34.857  24.521
  490    H    TYR  62           H        TYR  62  24.635  34.994  21.956
  491    HA   TYR  62           HA       TYR  62  27.044  36.718  21.618
  492    HB2  TYR  62           HB2      TYR  62  26.979  33.708  21.530
  493    HB3  TYR  62           HB3      TYR  62  28.362  34.769  21.751
  494    HD1  TYR  62           HD1      TYR  62  28.268  36.332  23.946
  495    HD2  TYR  62           HD2      TYR  62  25.991  32.724  23.399
  496    HE1  TYR  62           HE1      TYR  62  27.796  36.253  26.393
  497    HE2  TYR  62           HE2      TYR  62  25.479  32.665  25.834
  498    HH   TYR  62           HH       TYR  62  25.558  33.835  27.787
  499    H    LYS  63           H        LYS  63  24.511  35.782  19.769
  500    HA   LYS  63           HA       LYS  63  24.004  35.454  17.643
  501    HB2  LYS  63           HB2      LYS  63  26.386  37.255  17.109
  502    HB3  LYS  63           HB3      LYS  63  25.121  36.894  15.943
  503    HG2  LYS  63           HG2      LYS  63  24.653  38.311  18.597
  504    HG3  LYS  63           HG3      LYS  63  24.870  39.089  17.029
  505    HD2  LYS  63           HD2      LYS  63  22.817  38.029  16.158
  506    HD3  LYS  63           HD3      LYS  63  22.608  37.152  17.676
  507    HE2  LYS  63           HE2      LYS  63  21.124  38.992  17.778
  508    HE3  LYS  63           HE3      LYS  63  22.447  39.322  18.899
  509    HZ1  LYS  63           HZ1      LYS  63  23.423  40.764  17.144
  510    HZ2  LYS  63           HZ2      LYS  63  22.079  40.515  16.202
  511    HZ3  LYS  63           HZ3      LYS  63  21.967  41.279  17.652
  512    H    HIS  64           H        HIS  64  25.467  33.337  18.677
  513    HA   HIS  64           HA       HIS  64  26.368  32.062  16.155
  514    HB2  HIS  64           HB2      HIS  64  27.918  32.133  18.776
  515    HB3  HIS  64           HB3      HIS  64  28.179  30.908  17.537
  516    HD1  HIS  64           HD1      HIS  64  28.501  34.757  17.895
  517    HD2  HIS  64           HD2      HIS  64  29.630  31.533  15.437
  518    HE1  HIS  64           HE1      HIS  64  30.138  35.698  16.176
  519    H    GLU  65           H        GLU  65  26.133  29.807  16.131
  520    HA   GLU  65           HA       GLU  65  24.460  28.623  18.315
  521    HB2  GLU  65           HB2      GLU  65  23.520  27.093  16.660
  522    HB3  GLU  65           HB3      GLU  65  23.102  28.783  16.403
  523    HG2  GLU  65           HG2      GLU  65  24.764  28.919  14.553
  524    HG3  GLU  65           HG3      GLU  65  25.200  27.223  14.831
  525    H    THR  66           H        THR  66  27.327  28.217  16.299
  526    HA   THR  66           HA       THR  66  28.427  26.557  18.398
  527    HB   THR  66           HB       THR  66  27.397  24.779  17.052
  528    HG1  THR  66           HG1      THR  66  29.427  23.651  16.766
  529   HG21  THR  66          HG21      THR  66  27.614  25.787  14.766
  530   HG22  THR  66          HG22      THR  66  28.264  24.145  14.876
  531   HG23  THR  66          HG23      THR  66  29.371  25.532  14.848
  532    H    VAL  67           H        VAL  67  30.647  26.303  18.294
  533    HA   VAL  67           HA       VAL  67  32.279  27.521  16.280
  534    HB   VAL  67           HB       VAL  67  33.241  28.774  18.724
  535   HG11  VAL  67          HG11      VAL  67  32.484  29.907  16.015
  536   HG12  VAL  67          HG12      VAL  67  33.498  30.686  17.248
  537   HG13  VAL  67          HG13      VAL  67  34.061  29.212  16.450
  538   HG21  VAL  67          HG21      VAL  67  31.722  30.644  18.897
  539   HG22  VAL  67          HG22      VAL  67  30.617  29.924  17.717
  540   HG23  VAL  67          HG23      VAL  67  30.865  29.157  19.308
  541    HA   PRO  68           HA       PRO  68  31.086  25.239  19.388
  542    HB2  PRO  68           HB2      PRO  68  32.089  24.359  21.763
  543    HB3  PRO  68           HB3      PRO  68  31.991  23.358  20.299
  544    HG2  PRO  68           HG2      PRO  68  34.371  24.942  21.302
  545    HG3  PRO  68           HG3      PRO  68  34.321  23.214  20.825
  546    HD2  PRO  68           HD2      PRO  68  35.162  25.072  19.083
  547    HD3  PRO  68           HD3      PRO  68  34.070  23.769  18.532
  548    H    ALA  69           H        ALA  69  30.119  25.952  21.451
  549    HA   ALA  69           HA       ALA  69  31.062  28.643  22.313
  550    HB1  ALA  69           HB1      ALA  69  28.814  28.825  23.319
  551    HB2  ALA  69           HB2      ALA  69  28.706  28.444  21.593
  552    HB3  ALA  69           HB3      ALA  69  28.436  27.170  22.803
  553    H    ILE  70           H        ILE  70  32.218  28.813  24.144
  554    HA   ILE  70           HA       ILE  70  32.377  26.487  26.021
  555    HB   ILE  70           HB       ILE  70  34.572  28.317  24.981
  556   HG12  ILE  70          HG12      ILE  70  34.555  25.333  24.488
  557   HG13  ILE  70          HG13      ILE  70  33.652  26.380  23.404
  558   HG21  ILE  70          HG21      ILE  70  34.707  25.981  26.934
  559   HG22  ILE  70          HG22      ILE  70  36.124  26.754  26.204
  560   HG23  ILE  70          HG23      ILE  70  35.081  27.685  27.266
  561   HD11  ILE  70          HD11      ILE  70  35.953  25.948  22.585
  562   HD12  ILE  70          HD12      ILE  70  35.618  27.673  22.840
  563   HD13  ILE  70          HD13      ILE  70  36.592  26.770  24.012
  564    H    PHE  71           H        PHE  71  32.289  26.966  28.177
  565    HA   PHE  71           HA       PHE  71  32.447  29.825  28.976
  566    HB2  PHE  71           HB2      PHE  71  30.333  27.809  29.781
  567    HB3  PHE  71           HB3      PHE  71  30.542  29.418  30.466
  568    HD1  PHE  71           HD1      PHE  71  29.742  27.628  27.267
  569    HD2  PHE  71           HD2      PHE  71  29.458  31.297  29.519
  570    HE1  PHE  71           HE1      PHE  71  28.200  28.567  25.562
  571    HE2  PHE  71           HE2      PHE  71  27.865  32.196  27.842
  572    HZ   PHE  71           HZ       PHE  71  27.246  30.829  25.852
  573    H    ILE  72           H        ILE  72  33.196  30.297  30.981
  574    HA   ILE  72           HA       ILE  72  34.135  28.082  32.748
  575    HB   ILE  72           HB       ILE  72  35.822  30.483  31.945
  576   HG12  ILE  72          HG12      ILE  72  36.137  27.515  31.261
  577   HG13  ILE  72          HG13      ILE  72  35.695  28.787  30.131
  578   HG21  ILE  72          HG21      ILE  72  36.394  28.098  33.790
  579   HG22  ILE  72          HG22      ILE  72  37.569  29.348  33.342
  580   HG23  ILE  72          HG23      ILE  72  36.178  29.782  34.308
  581   HD11  ILE  72          HD11      ILE  72  37.911  29.875  30.492
  582   HD12  ILE  72          HD12      ILE  72  38.397  28.461  31.467
  583   HD13  ILE  72          HD13      ILE  72  37.983  28.261  29.762
  584    H    ASN  73           H        ASN  73  33.327  28.354  34.735
  585    HA   ASN  73           HA       ASN  73  32.094  29.243  36.431
  586    HB2  ASN  73           HB2      ASN  73  34.196  31.439  36.219
  587    HB3  ASN  73           HB3      ASN  73  33.186  31.126  37.615
  588   HD21  ASN  73          HD21      ASN  73  36.145  31.008  37.317
  589   HD22  ASN  73          HD22      ASN  73  36.545  29.437  38.012
  590    H    GLY  74           H        GLY  74  30.767  29.810  34.043
  591    HA2  GLY  74           HA2      GLY  74  28.790  30.967  33.524
  592    HA3  GLY  74           HA3      GLY  74  29.137  32.126  34.792
  593    H    ASN  75           H        ASN  75  31.934  32.128  32.959
  594    HA   ASN  75           HA       ASN  75  31.073  34.465  31.312
  595    HB2  ASN  75           HB2      ASN  75  33.753  33.533  32.422
  596    HB3  ASN  75           HB3      ASN  75  33.609  34.844  31.273
  597   HD21  ASN  75          HD21      ASN  75  34.367  34.646  34.301
  598   HD22  ASN  75          HD22      ASN  75  33.418  35.988  34.949
  599    H    PHE  76           H        PHE  76  31.736  34.679  29.119
  600    HA   PHE  76           HA       PHE  76  31.770  32.061  27.729
  601    HB2  PHE  76           HB2      PHE  76  29.873  33.484  27.355
  602    HB3  PHE  76           HB3      PHE  76  30.898  34.846  26.951
  603    HD1  PHE  76           HD1      PHE  76  30.431  31.274  25.788
  604    HD2  PHE  76           HD2      PHE  76  31.088  35.394  24.692
  605    HE1  PHE  76           HE1      PHE  76  30.372  30.653  23.393
  606    HE2  PHE  76           HE2      PHE  76  31.045  34.759  22.297
  607    HZ   PHE  76           HZ       PHE  76  30.677  32.390  21.638
  608    H    ILE  77           H        ILE  77  33.059  31.408  26.164
  609    HA   ILE  77           HA       ILE  77  35.005  33.145  24.775
  610    HB   ILE  77           HB       ILE  77  35.677  30.321  25.710
  611   HG12  ILE  77          HG12      ILE  77  37.569  31.705  26.990
  612   HG13  ILE  77          HG13      ILE  77  36.349  32.964  27.014
  613   HG21  ILE  77          HG21      ILE  77  37.399  32.472  24.411
  614   HG22  ILE  77          HG22      ILE  77  37.942  30.859  24.908
  615   HG23  ILE  77          HG23      ILE  77  36.779  31.016  23.603
  616   HD11  ILE  77          HD11      ILE  77  36.068  30.120  28.113
  617   HD12  ILE  77          HD12      ILE  77  36.371  31.579  29.075
  618   HD13  ILE  77          HD13      ILE  77  34.821  31.372  28.252
  619    H    GLY  78           H        GLY  78  34.875  32.786  22.480
  620    HA2  GLY  78           HA2      GLY  78  33.571  30.205  21.609
  621    HA3  GLY  78           HA3      GLY  78  33.327  31.734  20.794
  622    H    GLY  79           H        GLY  79  34.966  28.911  20.704
  623    HA2  GLY  79           HA2      GLY  79  35.902  28.506  18.416
  624    HA3  GLY  79           HA3      GLY  79  36.954  29.889  18.693
  625    H    CYS  80           H        CYS  80  37.533  26.921  18.217
  626    HA   CYS  80           HA       CYS  80  38.742  25.950  20.696
  627    HB2  CYS  80           HB2      CYS  80  38.007  24.455  18.800
  628    HB3  CYS  80           HB3      CYS  80  39.387  25.065  17.856
  629    HG   CYS  80           HG       CYS  80  41.228  24.455  19.713
  630    H    SER  81           H        SER  81  39.961  27.795  17.862
  631    HA   SER  81           HA       SER  81  42.703  27.861  18.798
  632    HB2  SER  81           HB2      SER  81  41.359  29.781  16.876
  633    HB3  SER  81           HB3      SER  81  43.088  29.406  17.025
  634    HG   SER  81           HG       SER  81  42.325  27.138  16.574
  635    H    ASP  82           H        ASP  82  39.859  29.868  19.313
  636    HA   ASP  82           HA       ASP  82  41.093  32.045  20.706
  637    HB2  ASP  82           HB2      ASP  82  38.672  31.645  19.720
  638    HB3  ASP  82           HB3      ASP  82  38.301  30.966  21.282
  639    H    LEU  83           H        LEU  83  39.693  29.001  21.797
  640    HA   LEU  83           HA       LEU  83  40.248  29.237  24.619
  641    HB2  LEU  83           HB2      LEU  83  38.598  27.689  23.819
  642    HB3  LEU  83           HB3      LEU  83  39.733  26.916  22.729
  643    HG   LEU  83           HG       LEU  83  41.012  26.028  24.688
  644   HD11  LEU  83          HD11      LEU  83  40.308  27.625  26.422
  645   HD12  LEU  83          HD12      LEU  83  38.624  27.073  26.272
  646   HD13  LEU  83          HD13      LEU  83  39.880  25.974  26.890
  647   HD21  LEU  83          HD21      LEU  83  39.500  24.231  25.163
  648   HD22  LEU  83          HD22      LEU  83  38.095  25.195  24.661
  649   HD23  LEU  83          HD23      LEU  83  39.316  24.694  23.468
  650    H    GLU  84           H        GLU  84  42.096  27.531  22.003
  651    HA   GLU  84           HA       GLU  84  44.276  26.806  23.727
  652    HB2  GLU  84           HB2      GLU  84  44.164  27.150  20.706
  653    HB3  GLU  84           HB3      GLU  84  45.570  26.551  21.612
  654    HG2  GLU  84           HG2      GLU  84  44.336  24.665  22.470
  655    HG3  GLU  84           HG3      GLU  84  42.863  25.188  21.656
  656    H    ALA  85           H        ALA  85  43.617  29.844  21.965
  657    HA   ALA  85           HA       ALA  85  46.186  31.004  22.274
  658    HB1  ALA  85           HB1      ALA  85  44.963  33.168  22.040
  659    HB2  ALA  85           HB2      ALA  85  44.456  31.974  20.834
  660    HB3  ALA  85           HB3      ALA  85  43.419  32.309  22.234
  661    H    LEU  86           H        LEU  86  43.487  30.793  24.605
  662    HA   LEU  86           HA       LEU  86  44.792  32.324  26.703
  663    HB2  LEU  86           HB2      LEU  86  42.525  30.289  26.800
  664    HB3  LEU  86           HB3      LEU  86  43.036  31.295  28.144
  665    HG   LEU  86           HG       LEU  86  41.876  32.338  25.526
  666   HD11  LEU  86          HD11      LEU  86  39.907  32.869  26.894
  667   HD12  LEU  86          HD12      LEU  86  40.240  31.132  26.921
  668   HD13  LEU  86          HD13      LEU  86  40.676  32.143  28.321
  669   HD21  LEU  86          HD21      LEU  86  41.702  34.494  26.754
  670   HD22  LEU  86          HD22      LEU  86  42.617  33.796  28.103
  671   HD23  LEU  86          HD23      LEU  86  43.377  34.014  26.503
  672    H    ASP  87           H        ASP  87  44.805  28.892  25.767
  673    HA   ASP  87           HA       ASP  87  46.225  27.928  28.091
  674    HB2  ASP  87           HB2      ASP  87  45.048  26.458  26.474
  675    HB3  ASP  87           HB3      ASP  87  46.278  26.817  25.269
  676    H    LYS  88           H        LYS  88  47.324  29.186  24.966
  677    HA   LYS  88           HA       LYS  88  50.154  29.057  25.545
  678    HB2  LYS  88           HB2      LYS  88  48.489  30.557  23.495
  679    HB3  LYS  88           HB3      LYS  88  50.205  30.893  23.688
  680    HG2  LYS  88           HG2      LYS  88  50.142  29.351  21.965
  681    HG3  LYS  88           HG3      LYS  88  50.673  28.429  23.369
  682    HD2  LYS  88           HD2      LYS  88  48.363  27.485  23.605
  683    HD3  LYS  88           HD3      LYS  88  47.872  28.452  22.181
  684    HE2  LYS  88           HE2      LYS  88  49.615  27.339  20.820
  685    HE3  LYS  88           HE3      LYS  88  50.040  26.325  22.206
  686    HZ1  LYS  88           HZ1      LYS  88  47.730  25.459  22.134
  687    HZ2  LYS  88           HZ2      LYS  88  47.473  26.318  20.730
  688    HZ3  LYS  88           HZ3      LYS  88  48.582  25.132  20.770
  689    H    GLU  89           H        GLU  89  47.785  31.417  26.536
  690    HA   GLU  89           HA       GLU  89  49.897  33.180  27.676
  691    HB2  GLU  89           HB2      GLU  89  46.874  33.460  27.716
  692    HB3  GLU  89           HB3      GLU  89  48.046  34.594  28.402
  693    HG2  GLU  89           HG2      GLU  89  49.045  34.805  26.059
  694    HG3  GLU  89           HG3      GLU  89  47.573  34.005  25.487
  695    H    GLY  90           H        GLY  90  48.876  30.258  28.688
  696    HA2  GLY  90           HA2      GLY  90  49.033  29.234  30.748
  697    HA3  GLY  90           HA3      GLY  90  49.632  30.748  31.415
  698    H    LYS  91           H        LYS  91  46.539  31.157  29.959
  699    HA   LYS  91           HA       LYS  91  45.445  31.796  32.645
  700    HB2  LYS  91           HB2      LYS  91  44.955  32.640  29.786
  701    HB3  LYS  91           HB3      LYS  91  43.622  32.752  30.923
  702    HG2  LYS  91           HG2      LYS  91  44.956  34.112  32.465
  703    HG3  LYS  91           HG3      LYS  91  46.354  34.016  31.388
  704    HD2  LYS  91           HD2      LYS  91  43.671  35.226  30.562
  705    HD3  LYS  91           HD3      LYS  91  44.995  36.153  31.278
  706    HE2  LYS  91           HE2      LYS  91  46.511  35.400  29.456
  707    HE3  LYS  91           HE3      LYS  91  45.158  34.538  28.694
  708    HZ1  LYS  91           HZ1      LYS  91  45.429  36.670  27.660
  709    HZ2  LYS  91           HZ2      LYS  91  44.025  36.704  28.519
  710    HZ3  LYS  91           HZ3      LYS  91  45.349  37.470  29.103
  711    H    LEU  92           H        LEU  92  45.129  29.259  30.375
  712    HA   LEU  92           HA       LEU  92  42.446  28.481  31.275
  713    HB2  LEU  92           HB2      LEU  92  43.368  28.115  28.950
  714    HB3  LEU  92           HB3      LEU  92  44.529  26.985  29.624
  715    HG   LEU  92           HG       LEU  92  42.677  25.535  30.399
  716   HD11  LEU  92          HD11      LEU  92  40.880  27.545  28.988
  717   HD12  LEU  92          HD12      LEU  92  40.372  25.918  29.485
  718   HD13  LEU  92          HD13      LEU  92  40.840  27.097  30.710
  719   HD21  LEU  92          HD21      LEU  92  41.975  24.754  28.142
  720   HD22  LEU  92          HD22      LEU  92  42.550  26.284  27.445
  721   HD23  LEU  92          HD23      LEU  92  43.699  25.156  28.193
  722    H    ASP  93           H        ASP  93  45.824  27.636  31.978
  723    HA   ASP  93           HA       ASP  93  45.148  25.854  34.202
  724    HB2  ASP  93           HB2      ASP  93  47.662  27.316  33.330
  725    HB3  ASP  93           HB3      ASP  93  47.549  26.461  34.856
  726    H    GLY  94           H        GLY  94  45.890  29.350  33.881
  727    HA2  GLY  94           HA2      GLY  94  45.776  29.948  36.648
  728    HA3  GLY  94           HA3      GLY  94  45.529  31.102  35.331
  729    H    LEU  95           H        LEU  95  43.068  29.489  34.394
  730    HA   LEU  95           HA       LEU  95  41.115  30.597  36.301
  731    HB2  LEU  95           HB2      LEU  95  41.059  29.370  33.532
  732    HB3  LEU  95           HB3      LEU  95  39.563  29.533  34.471
  733    HG   LEU  95           HG       LEU  95  41.404  31.896  33.908
  734   HD11  LEU  95          HD11      LEU  95  39.865  32.527  32.125
  735   HD12  LEU  95          HD12      LEU  95  40.557  30.936  31.781
  736   HD13  LEU  95          HD13      LEU  95  38.891  31.068  32.397
  737   HD21  LEU  95          HD21      LEU  95  39.357  33.217  34.386
  738   HD22  LEU  95          HD22      LEU  95  38.482  31.724  34.786
  739   HD23  LEU  95          HD23      LEU  95  39.848  32.268  35.784
  740    H    LEU  96           H        LEU  96  42.477  27.461  35.506
  741    HA   LEU  96           HA       LEU  96  40.412  26.014  37.085
  742    HB2  LEU  96           HB2      LEU  96  42.581  25.299  35.119
  743    HB3  LEU  96           HB3      LEU  96  41.800  24.026  35.991
  744    HG   LEU  96           HG       LEU  96  41.029  25.150  33.630
  745   HD11  LEU  96          HD11      LEU  96  39.029  23.864  35.557
  746   HD12  LEU  96          HD12      LEU  96  39.056  23.691  33.792
  747   HD13  LEU  96          HD13      LEU  96  40.330  22.958  34.802
  748   HD21  LEU  96          HD21      LEU  96  38.754  26.038  33.737
  749   HD22  LEU  96          HD22      LEU  96  38.979  26.370  35.460
  750   HD23  LEU  96          HD23      LEU  96  40.005  27.153  34.227
  751    H    SER  97           H        SER  97  43.552  27.163  37.546
  752    HA   SER  97           HA       SER  97  44.294  25.483  39.800
  753    HB2  SER  97           HB2      SER  97  45.141  28.311  39.060
  754    HB3  SER  97           HB3      SER  97  45.838  27.353  40.385
  755    HG   SER  97           HG       SER  97  45.804  26.794  37.607
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   5.024  32.693  37.196
    2    H2   GLY   1           H2       GLY   1   5.450  34.279  37.062
    3    H3   GLY   1           H3       GLY   1   5.535  33.515  38.516
    4    HA2  GLY   1           HA2      GLY   1   7.726  33.816  37.566
    5    HA3  GLY   1           HA3      GLY   1   7.291  32.111  37.795
    6    H    ALA   2           H        ALA   2   9.279  32.863  36.110
    7    HA   ALA   2           HA       ALA   2   8.279  32.281  33.349
    8    HB1  ALA   2           HB1      ALA   2   9.343  34.483  33.571
    9    HB2  ALA   2           HB2      ALA   2  10.784  33.740  34.299
   10    HB3  ALA   2           HB3      ALA   2  10.368  33.403  32.608
   11    H    MET   3           H        MET   3   9.913  31.020  32.013
   12    HA   MET   3           HA       MET   3  10.560  28.556  33.413
   13    HB2  MET   3           HB2      MET   3  10.989  29.447  30.541
   14    HB3  MET   3           HB3      MET   3  11.367  27.831  31.127
   15    HG2  MET   3           HG2      MET   3   8.610  29.094  31.231
   16    HG3  MET   3           HG3      MET   3   9.175  28.001  29.974
   17    HE1  MET   3           HE1      MET   3   6.919  26.663  30.392
   18    HE2  MET   3           HE2      MET   3   6.454  25.974  31.963
   19    HE3  MET   3           HE3      MET   3   6.493  27.736  31.745
   20    HA   PRO   4           HA       PRO   4  15.042  29.239  33.842
   21    HB2  PRO   4           HB2      PRO   4  15.956  26.700  34.106
   22    HB3  PRO   4           HB3      PRO   4  14.937  27.471  35.358
   23    HG2  PRO   4           HG2      PRO   4  14.059  25.584  33.147
   24    HG3  PRO   4           HG3      PRO   4  13.673  25.502  34.896
   25    HD2  PRO   4           HD2      PRO   4  11.986  26.631  33.052
   26    HD3  PRO   4           HD3      PRO   4  12.099  27.221  34.736
   27    H    SER   5           H        SER   5  17.121  28.491  32.731
   28    HA   SER   5           HA       SER   5  16.885  27.255  30.081
   29    HB2  SER   5           HB2      SER   5  17.913  29.041  28.865
   30    HB3  SER   5           HB3      SER   5  16.518  29.736  29.666
   31    HG   SER   5           HG       SER   5  18.300  31.080  29.966
   32    H    ILE   6           H        ILE   6  19.212  27.274  29.024
   33    HA   ILE   6           HA       ILE   6  20.946  25.800  30.640
   34    HB   ILE   6           HB       ILE   6  22.503  25.790  29.002
   35   HG12  ILE   6          HG12      ILE   6  21.476  28.409  27.998
   36   HG13  ILE   6          HG13      ILE   6  23.092  28.015  28.530
   37   HG21  ILE   6          HG21      ILE   6  21.420  24.983  27.215
   38   HG22  ILE   6          HG22      ILE   6  20.239  24.826  28.517
   39   HG23  ILE   6          HG23      ILE   6  20.103  26.181  27.342
   40   HD11  ILE   6          HD11      ILE   6  23.465  26.663  26.501
   41   HD12  ILE   6          HD12      ILE   6  21.820  27.013  25.948
   42   HD13  ILE   6          HD13      ILE   6  22.998  28.325  26.111
   43    H    ALA   7           H        ALA   7  20.750  29.256  30.336
   44    HA   ALA   7           HA       ALA   7  23.269  30.150  31.131
   45    HB1  ALA   7           HB1      ALA   7  20.567  31.355  31.841
   46    HB2  ALA   7           HB2      ALA   7  22.127  32.192  31.803
   47    HB3  ALA   7           HB3      ALA   7  21.426  31.573  30.298
   48    H    SER   8           H        SER   8  20.655  28.904  33.231
   49    HA   SER   8           HA       SER   8  22.052  29.408  35.773
   50    HB2  SER   8           HB2      SER   8  19.836  27.434  35.034
   51    HB3  SER   8           HB3      SER   8  20.345  27.864  36.674
   52    HG   SER   8           HG       SER   8  19.105  29.546  34.719
   53    H    MET   9           H        MET   9  22.027  26.718  33.441
   54    HA   MET   9           HA       MET   9  23.230  24.749  35.129
   55    HB2  MET   9           HB2      MET   9  22.457  23.509  33.457
   56    HB3  MET   9           HB3      MET   9  22.026  24.947  32.536
   57    HG2  MET   9           HG2      MET   9  24.202  25.030  31.518
   58    HG3  MET   9           HG3      MET   9  24.674  23.573  32.413
   59    HE1  MET   9           HE1      MET   9  24.121  21.163  29.662
   60    HE2  MET   9           HE2      MET   9  25.286  22.501  29.837
   61    HE3  MET   9           HE3      MET   9  24.834  21.505  31.246
   62    H    ILE  10           H        ILE  10  24.543  27.274  33.072
   63    HA   ILE  10           HA       ILE  10  27.165  26.371  32.655
   64    HB   ILE  10           HB       ILE  10  26.592  29.292  32.938
   65   HG12  ILE  10          HG12      ILE  10  25.524  27.260  30.983
   66   HG13  ILE  10          HG13      ILE  10  24.763  28.666  31.768
   67   HG21  ILE  10          HG21      ILE  10  28.943  28.394  32.406
   68   HG22  ILE  10          HG22      ILE  10  28.249  27.700  30.937
   69   HG23  ILE  10          HG23      ILE  10  28.238  29.460  31.198
   70   HD11  ILE  10          HD11      ILE  10  24.912  28.948  29.411
   71   HD12  ILE  10          HD12      ILE  10  25.964  30.138  30.249
   72   HD13  ILE  10          HD13      ILE  10  26.670  28.683  29.471
   73    H    LYS  11           H        LYS  11  25.727  27.735  35.486
   74    HA   LYS  11           HA       LYS  11  28.238  28.500  36.826
   75    HB2  LYS  11           HB2      LYS  11  25.282  28.663  37.623
   76    HB3  LYS  11           HB3      LYS  11  26.617  29.093  38.698
   77    HG2  LYS  11           HG2      LYS  11  26.049  31.153  37.882
   78    HG3  LYS  11           HG3      LYS  11  27.366  30.722  36.788
   79    HD2  LYS  11           HD2      LYS  11  25.652  29.947  35.130
   80    HD3  LYS  11           HD3      LYS  11  24.368  30.451  36.224
   81    HE2  LYS  11           HE2      LYS  11  26.469  32.325  35.041
   82    HE3  LYS  11           HE3      LYS  11  24.919  31.961  34.275
   83    HZ1  LYS  11           HZ1      LYS  11  25.289  33.362  36.857
   84    HZ2  LYS  11           HZ2      LYS  11  24.644  33.944  35.461
   85    HZ3  LYS  11           HZ3      LYS  11  23.824  32.822  36.313
   86    H    GLY  12           H        GLY  12  26.898  25.530  36.345
   87    HA2  GLY  12           HA2      GLY  12  27.203  24.477  39.069
   88    HA3  GLY  12           HA3      GLY  12  26.577  23.637  37.662
   89    H    ASN  13           H        ASN  13  29.442  24.677  36.447
   90    HA   ASN  13           HA       ASN  13  31.245  22.851  37.870
   91    HB2  ASN  13           HB2      ASN  13  30.147  21.621  35.818
   92    HB3  ASN  13           HB3      ASN  13  31.176  22.627  34.839
   93   HD21  ASN  13          HD21      ASN  13  31.436  19.895  34.640
   94   HD22  ASN  13          HD22      ASN  13  32.924  19.402  35.445
   95    H    LYS  14           H        LYS  14  33.489  23.150  37.093
   96    HA   LYS  14           HA       LYS  14  34.166  25.964  36.972
   97    HB2  LYS  14           HB2      LYS  14  35.527  24.019  37.968
   98    HB3  LYS  14           HB3      LYS  14  36.037  23.656  36.317
   99    HG2  LYS  14           HG2      LYS  14  36.959  25.935  36.071
  100    HG3  LYS  14           HG3      LYS  14  36.399  26.376  37.681
  101    HD2  LYS  14           HD2      LYS  14  38.422  24.186  37.084
  102    HD3  LYS  14           HD3      LYS  14  38.858  25.843  37.494
  103    HE2  LYS  14           HE2      LYS  14  37.349  23.924  39.314
  104    HE3  LYS  14           HE3      LYS  14  39.086  24.261  39.376
  105    HZ1  LYS  14           HZ1      LYS  14  37.995  25.572  41.005
  106    HZ2  LYS  14           HZ2      LYS  14  38.539  26.594  39.853
  107    HZ3  LYS  14           HZ3      LYS  14  36.916  26.184  39.933
  108    H    VAL  15           H        VAL  15  33.760  23.454  34.509
  109    HA   VAL  15           HA       VAL  15  33.868  25.573  32.425
  110    HB   VAL  15           HB       VAL  15  35.242  22.892  32.041
  111   HG11  VAL  15          HG11      VAL  15  34.341  23.848  29.953
  112   HG12  VAL  15          HG12      VAL  15  35.193  25.370  30.283
  113   HG13  VAL  15          HG13      VAL  15  36.103  23.881  29.977
  114   HG21  VAL  15          HG21      VAL  15  37.351  24.300  31.913
  115   HG22  VAL  15          HG22      VAL  15  36.422  25.627  32.628
  116   HG23  VAL  15          HG23      VAL  15  36.661  24.119  33.531
  117    H    VAL  16           H        VAL  16  32.278  25.436  30.925
  118    HA   VAL  16           HA       VAL  16  30.634  22.954  30.734
  119    HB   VAL  16           HB       VAL  16  29.447  25.711  31.114
  120   HG11  VAL  16          HG11      VAL  16  28.077  24.342  29.584
  121   HG12  VAL  16          HG12      VAL  16  28.139  22.978  30.723
  122   HG13  VAL  16          HG13      VAL  16  27.281  24.473  31.151
  123   HG21  VAL  16          HG21      VAL  16  30.204  24.857  33.267
  124   HG22  VAL  16          HG22      VAL  16  28.458  24.651  33.189
  125   HG23  VAL  16          HG23      VAL  16  29.514  23.256  32.924
  126    H    VAL  17           H        VAL  17  30.105  22.435  28.639
  127    HA   VAL  17           HA       VAL  17  30.683  24.416  26.463
  128    HB   VAL  17           HB       VAL  17  31.604  21.526  26.768
  129   HG11  VAL  17          HG11      VAL  17  30.915  21.827  24.436
  130   HG12  VAL  17          HG12      VAL  17  31.837  23.345  24.323
  131   HG13  VAL  17          HG13      VAL  17  32.668  21.783  24.546
  132   HG21  VAL  17          HG21      VAL  17  33.070  24.176  26.459
  133   HG22  VAL  17          HG22      VAL  17  33.054  23.123  27.890
  134   HG23  VAL  17          HG23      VAL  17  33.839  22.579  26.405
  135    H    PHE  18           H        PHE  18  29.353  24.429  24.703
  136    HA   PHE  18           HA       PHE  18  27.128  22.429  24.604
  137    HB2  PHE  18           HB2      PHE  18  26.967  25.387  23.980
  138    HB3  PHE  18           HB3      PHE  18  25.692  24.217  23.721
  139    HD1  PHE  18           HD2      PHE  18  27.581  26.105  26.296
  140    HD2  PHE  18           HD1      PHE  18  24.382  23.330  25.573
  141    HE1  PHE  18           HE2      PHE  18  26.660  26.591  28.547
  142    HE2  PHE  18           HE1      PHE  18  23.475  23.779  27.848
  143    HZ   PHE  18           HZ       PHE  18  24.546  25.486  29.309
  144    H    SER  19           H        SER  19  27.069  21.284  22.795
  145    HA   SER  19           HA       SER  19  28.757  22.113  20.453
  146    HB2  SER  19           HB2      SER  19  28.645  19.421  21.869
  147    HB3  SER  19           HB3      SER  19  29.649  19.838  20.484
  148    HG   SER  19           HG       SER  19  30.974  20.282  22.072
  149    H    TRP  20           H        TRP  20  28.604  20.833  18.490
  150    HA   TRP  20           HA       TRP  20  26.004  19.419  18.085
  151    HB2  TRP  20           HB2      TRP  20  26.791  21.985  16.949
  152    HB3  TRP  20           HB3      TRP  20  26.640  20.797  15.678
  153    HD1  TRP  20           HD1      TRP  20  24.276  20.648  18.681
  154    HE1  TRP  20           HE1      TRP  20  21.880  21.114  17.901
  155    HE3  TRP  20           HE3      TRP  20  25.277  22.165  13.891
  156    HZ2  TRP  20           HZ2      TRP  20  20.578  22.191  15.558
  157    HZ3  TRP  20           HZ3      TRP  20  23.430  22.932  12.412
  158    HH2  TRP  20           HH2      TRP  20  21.091  22.961  13.235
  159    H    VAL  21           H        VAL  21  25.921  17.825  16.562
  160    HA   VAL  21           HA       VAL  21  28.494  16.582  15.847
  161    HB   VAL  21           HB       VAL  21  25.683  15.495  15.542
  162   HG11  VAL  21          HG11      VAL  21  27.165  14.385  13.952
  163   HG12  VAL  21          HG12      VAL  21  28.415  14.174  15.204
  164   HG13  VAL  21          HG13      VAL  21  26.882  13.294  15.301
  165   HG21  VAL  21          HG21      VAL  21  26.249  15.714  17.921
  166   HG22  VAL  21          HG22      VAL  21  26.316  14.019  17.442
  167   HG23  VAL  21          HG23      VAL  21  27.823  14.935  17.644
  168    H    THR  22           H        THR  22  28.070  16.978  12.236
  169    HA   THR  22           HA       THR  22  29.871  16.188  14.471
  170    HB   THR  22           HB       THR  22  29.953  14.363  13.212
  171    HG1  THR  22           HG1      THR  22  31.963  14.416  12.295
  172   HG21  THR  22          HG21      THR  22  30.225  14.371  10.746
  173   HG22  THR  22          HG22      THR  22  29.971  16.140  10.775
  174   HG23  THR  22          HG23      THR  22  28.686  15.034  11.320
  175    H    CYS  23           H        CYS  23  31.569  17.508  14.952
  176    HA   CYS  23           HA       CYS  23  31.745  20.014  13.340
  177    HB2  CYS  23           HB2      CYS  23  30.372  20.268  15.333
  178    HB3  CYS  23           HB3      CYS  23  31.688  19.651  16.350
  179    HG   CYS  23           HG       CYS  23  31.474  22.345  14.443
  180    HA   PRO  24           HA       PRO  24  36.017  18.633  13.334
  181    HB2  PRO  24           HB2      PRO  24  37.163  20.636  11.862
  182    HB3  PRO  24           HB3      PRO  24  36.111  19.378  11.143
  183    HG2  PRO  24           HG2      PRO  24  35.327  22.181  12.013
  184    HG3  PRO  24           HG3      PRO  24  34.976  21.365  10.453
  185    HD2  PRO  24           HD2      PRO  24  33.166  21.432  12.480
  186    HD3  PRO  24           HD3      PRO  24  33.328  19.989  11.438
  187    H    TYR  25           H        TYR  25  34.839  21.614  14.677
  188    HA   TYR  25           HA       TYR  25  37.273  22.137  16.241
  189    HB2  TYR  25           HB2      TYR  25  34.528  23.443  16.297
  190    HB3  TYR  25           HB3      TYR  25  35.968  24.045  17.081
  191    HD1  TYR  25           HD1      TYR  25  38.096  23.778  15.029
  192    HD2  TYR  25           HD2      TYR  25  33.957  24.941  14.561
  193    HE1  TYR  25           HE1      TYR  25  38.647  24.875  12.883
  194    HE2  TYR  25           HE2      TYR  25  34.532  26.050  12.399
  195    HH   TYR  25           HH       TYR  25  37.797  25.826  10.982
  196    H    CYS  26           H        CYS  26  33.973  20.885  17.008
  197    HA   CYS  26           HA       CYS  26  34.461  20.951  19.798
  198    HB2  CYS  26           HB2      CYS  26  32.238  20.702  18.739
  199    HB3  CYS  26           HB3      CYS  26  32.575  18.970  18.469
  200    HG   CYS  26           HG       CYS  26  33.303  18.480  20.973
  201    H    VAL  27           H        VAL  27  35.229  18.342  17.517
  202    HA   VAL  27           HA       VAL  27  36.232  16.357  19.179
  203    HB   VAL  27           HB       VAL  27  36.112  16.371  16.879
  204   HG11  VAL  27          HG11      VAL  27  38.508  17.887  16.303
  205   HG12  VAL  27          HG12      VAL  27  37.343  17.107  15.212
  206   HG13  VAL  27          HG13      VAL  27  36.791  18.437  16.227
  207   HG21  VAL  27          HG21      VAL  27  38.938  15.719  17.813
  208   HG22  VAL  27          HG22      VAL  27  37.541  14.639  17.945
  209   HG23  VAL  27          HG23      VAL  27  38.200  15.040  16.347
  210    H    ARG  28           H        ARG  28  37.903  18.805  17.758
  211    HA   ARG  28           HA       ARG  28  40.430  18.808  19.115
  212    HB2  ARG  28           HB2      ARG  28  39.140  21.411  18.168
  213    HB3  ARG  28           HB3      ARG  28  40.804  21.187  18.649
  214    HG2  ARG  28           HG2      ARG  28  40.612  19.279  16.697
  215    HG3  ARG  28           HG3      ARG  28  39.431  20.497  16.143
  216    HD2  ARG  28           HD2      ARG  28  41.189  22.263  16.389
  217    HD3  ARG  28           HD3      ARG  28  42.344  21.009  16.882
  218    HE   ARG  28           HE       ARG  28  41.157  20.412  14.307
  219   HH11  ARG  28          HH22      ARG  28  43.751  22.309  15.821
  220   HH12  ARG  28          HH21      ARG  28  44.544  22.495  14.255
  221   HH21  ARG  28          HH12      ARG  28  42.321  20.813  12.393
  222   HH22  ARG  28          HH11      ARG  28  43.853  21.691  12.534
  223    H    ALA  29           H        ALA  29  37.601  20.748  20.079
  224    HA   ALA  29           HA       ALA  29  38.816  21.793  22.454
  225    HB1  ALA  29           HB1      ALA  29  36.550  22.431  23.108
  226    HB2  ALA  29           HB2      ALA  29  36.847  22.824  21.399
  227    HB3  ALA  29           HB3      ALA  29  35.860  21.406  21.827
  228    H    GLU  30           H        GLU  30  36.518  18.966  22.125
  229    HA   GLU  30           HA       GLU  30  36.615  18.246  24.901
  230    HB2  GLU  30           HB2      GLU  30  36.148  16.578  22.398
  231    HB3  GLU  30           HB3      GLU  30  36.030  15.945  24.036
  232    HG2  GLU  30           HG2      GLU  30  34.283  17.791  24.480
  233    HG3  GLU  30           HG3      GLU  30  34.219  18.009  22.724
  234    H    LYS  31           H        LYS  31  38.843  17.370  22.282
  235    HA   LYS  31           HA       LYS  31  40.326  15.518  23.826
  236    HB2  LYS  31           HB2      LYS  31  40.549  15.557  21.410
  237    HB3  LYS  31           HB3      LYS  31  40.883  17.289  21.391
  238    HG2  LYS  31           HG2      LYS  31  43.115  16.919  22.387
  239    HG3  LYS  31           HG3      LYS  31  42.767  15.191  22.484
  240    HD2  LYS  31           HD2      LYS  31  44.105  15.500  20.557
  241    HD3  LYS  31           HD3      LYS  31  42.451  15.219  19.969
  242    HE2  LYS  31           HE2      LYS  31  42.122  17.478  19.393
  243    HE3  LYS  31           HE3      LYS  31  43.533  18.039  20.338
  244    HZ1  LYS  31           HZ1      LYS  31  43.632  16.361  17.869
  245    HZ2  LYS  31           HZ2      LYS  31  44.068  17.926  17.940
  246    HZ3  LYS  31           HZ3      LYS  31  44.948  16.798  18.725
  247    H    LEU  32           H        LEU  32  40.893  18.951  23.232
  248    HA   LEU  32           HA       LEU  32  43.248  19.359  24.770
  249    HB2  LEU  32           HB2      LEU  32  42.155  20.712  22.964
  250    HB3  LEU  32           HB3      LEU  32  40.937  21.172  24.154
  251    HG   LEU  32           HG       LEU  32  42.521  22.899  23.629
  252   HD11  LEU  32          HD11      LEU  32  41.491  22.915  25.867
  253   HD12  LEU  32          HD12      LEU  32  42.937  22.105  26.516
  254   HD13  LEU  32          HD13      LEU  32  43.068  23.721  25.808
  255   HD21  LEU  32          HD21      LEU  32  44.841  22.892  24.171
  256   HD22  LEU  32          HD22      LEU  32  44.720  21.282  24.936
  257   HD23  LEU  32          HD23      LEU  32  44.492  21.466  23.184
  258    H    LEU  33           H        LEU  33  39.776  19.738  25.642
  259    HA   LEU  33           HA       LEU  33  40.242  20.810  28.228
  260    HB2  LEU  33           HB2      LEU  33  37.860  19.266  27.083
  261    HB3  LEU  33           HB3      LEU  33  37.808  20.137  28.614
  262    HG   LEU  33           HG       LEU  33  38.420  21.495  25.963
  263   HD11  LEU  33          HD11      LEU  33  36.095  20.568  26.044
  264   HD12  LEU  33          HD12      LEU  33  35.805  21.726  27.377
  265   HD13  LEU  33          HD13      LEU  33  36.268  22.308  25.776
  266   HD21  LEU  33          HD21      LEU  33  39.277  22.797  27.789
  267   HD22  LEU  33          HD22      LEU  33  37.810  23.570  27.186
  268   HD23  LEU  33          HD23      LEU  33  37.734  22.619  28.680
  269    H    HIS  34           H        HIS  34  39.685  17.422  27.271
  270    HA   HIS  34           HA       HIS  34  40.097  16.391  29.956
  271    HB2  HIS  34           HB2      HIS  34  39.873  15.126  27.209
  272    HB3  HIS  34           HB3      HIS  34  40.214  14.196  28.673
  273    HD1  HIS  34           HD1      HIS  34  38.237  14.534  30.717
  274    HD2  HIS  34           HD2      HIS  34  37.307  15.497  26.726
  275    HE1  HIS  34           HE1      HIS  34  35.691  14.593  30.550
  276    H    ALA  35           H        ALA  35  42.291  17.141  27.217
  277    HA   ALA  35           HA       ALA  35  44.495  15.601  28.383
  278    HB1  ALA  35           HB1      ALA  35  44.441  17.689  26.167
  279    HB2  ALA  35           HB2      ALA  35  45.810  16.636  26.573
  280    HB3  ALA  35           HB3      ALA  35  44.310  15.927  25.961
  281    H    ARG  36           H        ARG  36  43.272  18.811  28.840
  282    HA   ARG  36           HA       ARG  36  45.693  19.693  30.359
  283    HB2  ARG  36           HB2      ARG  36  43.379  21.220  29.102
  284    HB3  ARG  36           HB3      ARG  36  44.674  21.915  30.063
  285    HG2  ARG  36           HG2      ARG  36  45.065  20.533  27.387
  286    HG3  ARG  36           HG3      ARG  36  45.000  22.277  27.674
  287    HD2  ARG  36           HD2      ARG  36  46.968  21.949  29.292
  288    HD3  ARG  36           HD3      ARG  36  47.100  20.315  28.608
  289    HE   ARG  36           HE       ARG  36  47.228  22.862  26.998
  290   HH11  ARG  36          HH22      ARG  36  48.862  19.852  27.744
  291   HH12  ARG  36          HH21      ARG  36  49.588  19.767  26.139
  292   HH21  ARG  36          HH12      ARG  36  48.326  22.843  25.180
  293   HH22  ARG  36          HH11      ARG  36  49.529  21.588  24.842
  294    H    THR  37           H        THR  37  43.163  18.169  31.240
  295    HA   THR  37           HA       THR  37  42.241  17.683  33.273
  296    HB   THR  37           HB       THR  37  43.620  19.817  34.764
  297    HG1  THR  37           HG1      THR  37  45.564  18.897  34.701
  298   HG21  THR  37          HG21      THR  37  42.369  18.055  35.999
  299   HG22  THR  37          HG22      THR  37  44.086  17.992  36.398
  300   HG23  THR  37          HG23      THR  37  43.392  16.804  35.273
  301    H    LYS  38           H        LYS  38  40.888  19.633  31.605
  302    HA   LYS  38           HA       LYS  38  39.866  21.629  33.508
  303    HB2  LYS  38           HB2      LYS  38  38.658  20.832  30.853
  304    HB3  LYS  38           HB3      LYS  38  38.217  22.178  31.881
  305    HG2  LYS  38           HG2      LYS  38  40.678  21.737  30.170
  306    HG3  LYS  38           HG3      LYS  38  39.528  23.050  30.047
  307    HD2  LYS  38           HD2      LYS  38  40.714  24.412  31.393
  308    HD3  LYS  38           HD3      LYS  38  41.011  23.146  32.575
  309    HE2  LYS  38           HE2      LYS  38  42.629  22.097  30.944
  310    HE3  LYS  38           HE3      LYS  38  42.477  23.548  29.945
  311    HZ1  LYS  38           HZ1      LYS  38  43.278  24.711  32.161
  312    HZ2  LYS  38           HZ2      LYS  38  43.887  23.184  32.481
  313    HZ3  LYS  38           HZ3      LYS  38  44.332  23.980  31.157
  314    H    ASP  39           H        ASP  39  38.788  20.995  35.152
  315    HA   ASP  39           HA       ASP  39  36.787  18.968  35.198
  316    HB2  ASP  39           HB2      ASP  39  37.252  21.514  36.774
  317    HB3  ASP  39           HB3      ASP  39  35.699  20.696  36.919
  318    H    ILE  40           H        ILE  40  35.519  18.764  33.589
  319    HA   ILE  40           HA       ILE  40  34.124  21.085  32.384
  320    HB   ILE  40           HB       ILE  40  36.213  20.320  31.302
  321   HG12  ILE  40          HG12      ILE  40  33.772  21.043  30.065
  322   HG13  ILE  40          HG13      ILE  40  35.417  21.348  29.576
  323   HG21  ILE  40          HG21      ILE  40  36.020  17.886  31.762
  324   HG22  ILE  40          HG22      ILE  40  34.746  17.757  30.555
  325   HG23  ILE  40          HG23      ILE  40  36.388  18.243  30.081
  326   HD11  ILE  40          HD11      ILE  40  35.471  19.350  28.184
  327   HD12  ILE  40          HD12      ILE  40  33.862  18.854  28.782
  328   HD13  ILE  40          HD13      ILE  40  34.034  20.306  27.793
  329    H    THR  41           H        THR  41  32.109  20.928  31.630
  330    HA   THR  41           HA       THR  41  30.702  18.271  31.471
  331    HB   THR  41           HB       THR  41  29.737  20.979  32.475
  332    HG1  THR  41           HG1      THR  41  29.064  19.713  34.234
  333   HG21  THR  41          HG21      THR  41  28.076  18.556  31.707
  334   HG22  THR  41          HG22      THR  41  27.949  20.225  31.082
  335   HG23  THR  41          HG23      THR  41  27.490  19.876  32.743
  336    H    VAL  42           H        VAL  42  30.330  17.867  29.233
  337    HA   VAL  42           HA       VAL  42  29.489  20.191  27.607
  338    HB   VAL  42           HB       VAL  42  31.119  19.517  26.385
  339   HG11  VAL  42          HG11      VAL  42  32.083  17.340  26.081
  340   HG12  VAL  42          HG12      VAL  42  32.088  17.953  27.728
  341   HG13  VAL  42          HG13      VAL  42  30.911  16.678  27.259
  342   HG21  VAL  42          HG21      VAL  42  30.564  18.155  24.467
  343   HG22  VAL  42          HG22      VAL  42  29.172  17.465  25.318
  344   HG23  VAL  42          HG23      VAL  42  29.208  19.199  24.885
  345    H    HIS  43           H        HIS  43  27.683  20.376  26.572
  346    HA   HIS  43           HA       HIS  43  25.633  18.206  26.699
  347    HB2  HIS  43           HB2      HIS  43  25.133  20.286  27.993
  348    HB3  HIS  43           HB3      HIS  43  25.245  21.218  26.517
  349    HD1  HIS  43           HD1      HIS  43  23.271  17.872  27.078
  350    HD2  HIS  43           HD2      HIS  43  22.749  21.949  26.155
  351    HE1  HIS  43           HE1      HIS  43  20.798  18.207  26.665
  352    H    TYR  44           H        TYR  44  25.382  17.245  24.709
  353    HA   TYR  44           HA       TYR  44  25.990  18.800  22.247
  354    HB2  TYR  44           HB2      TYR  44  25.527  15.900  22.809
  355    HB3  TYR  44           HB3      TYR  44  25.192  16.558  21.211
  356    HD1  TYR  44           HD1      TYR  44  26.913  17.502  19.779
  357    HD2  TYR  44           HD2      TYR  44  27.892  15.859  23.642
  358    HE1  TYR  44           HE1      TYR  44  29.312  17.361  19.108
  359    HE2  TYR  44           HE2      TYR  44  30.304  15.831  23.011
  360    HH   TYR  44           HH       TYR  44  31.852  16.214  21.350
  361    H    VAL  45           H        VAL  45  24.528  20.291  21.914
  362    HA   VAL  45           HA       VAL  45  21.668  19.881  22.233
  363    HB   VAL  45           HB       VAL  45  21.424  22.152  21.241
  364   HG11  VAL  45          HG11      VAL  45  23.308  21.902  23.617
  365   HG12  VAL  45          HG12      VAL  45  22.255  23.284  23.238
  366   HG13  VAL  45          HG13      VAL  45  21.538  21.729  23.670
  367   HG21  VAL  45          HG21      VAL  45  23.466  22.370  19.903
  368   HG22  VAL  45          HG22      VAL  45  23.401  23.616  21.141
  369   HG23  VAL  45          HG23      VAL  45  24.471  22.228  21.364
  370    H    ASP  46           H        ASP  46  23.435  18.375  20.210
  371    HA   ASP  46           HA       ASP  46  21.431  18.217  17.999
  372    HB2  ASP  46           HB2      ASP  46  23.763  18.241  17.281
  373    HB3  ASP  46           HB3      ASP  46  24.160  16.934  18.399
  374    H    LYS  47           H        LYS  47  22.991  16.223  20.568
  375    HA   LYS  47           HA       LYS  47  21.301  13.881  20.250
  376    HB2  LYS  47           HB2      LYS  47  22.933  14.816  22.654
  377    HB3  LYS  47           HB3      LYS  47  22.321  13.190  22.398
  378    HG2  LYS  47           HG2      LYS  47  24.376  14.515  20.571
  379    HG3  LYS  47           HG3      LYS  47  24.785  13.569  21.998
  380    HD2  LYS  47           HD2      LYS  47  23.723  11.573  21.023
  381    HD3  LYS  47           HD3      LYS  47  23.295  12.504  19.562
  382    HE2  LYS  47           HE2      LYS  47  25.652  12.988  19.126
  383    HE3  LYS  47           HE3      LYS  47  26.142  12.237  20.644
  384    HZ1  LYS  47           HZ1      LYS  47  26.443  10.867  18.618
  385    HZ2  LYS  47           HZ2      LYS  47  25.645  10.115  19.830
  386    HZ3  LYS  47           HZ3      LYS  47  24.793  10.671  18.521
  387    H    MET  48           H        MET  48  21.182  16.769  22.279
  388    HA   MET  48           HA       MET  48  18.618  16.056  23.549
  389    HB2  MET  48           HB2      MET  48  20.410  17.492  24.586
  390    HB3  MET  48           HB3      MET  48  20.098  18.714  23.359
  391    HG2  MET  48           HG2      MET  48  18.909  19.429  25.237
  392    HG3  MET  48           HG3      MET  48  17.673  18.746  24.185
  393    HE1  MET  48           HE1      MET  48  16.348  19.088  26.760
  394    HE2  MET  48           HE2      MET  48  16.892  18.175  28.174
  395    HE3  MET  48           HE3      MET  48  17.928  19.446  27.496
  396    H    SER  49           H        SER  49  16.830  15.969  22.194
  397    HA   SER  49           HA       SER  49  16.654  17.356  19.668
  398    HB2  SER  49           HB2      SER  49  14.413  16.179  21.342
  399    HB3  SER  49           HB3      SER  49  14.367  16.575  19.617
  400    HG   SER  49           HG       SER  49  16.410  15.043  19.707
  401    H    GLU  50           H        GLU  50  15.551  18.188  22.925
  402    HA   GLU  50           HA       GLU  50  14.286  20.650  22.350
  403    HB2  GLU  50           HB2      GLU  50  14.504  19.235  24.543
  404    HB3  GLU  50           HB3      GLU  50  16.014  20.122  24.801
  405    HG2  GLU  50           HG2      GLU  50  14.744  22.243  24.870
  406    HG3  GLU  50           HG3      GLU  50  13.244  21.357  24.562
  407    H    GLY  51           H        GLY  51  17.604  19.912  21.955
  408    HA2  GLY  51           HA2      GLY  51  19.081  22.063  22.806
  409    HA3  GLY  51           HA3      GLY  51  19.421  21.098  21.375
  410    H    GLU  52           H        GLU  52  16.874  22.157  20.055
  411    HA   GLU  52           HA       GLU  52  18.061  24.501  18.783
  412    HB2  GLU  52           HB2      GLU  52  15.410  23.065  18.537
  413    HB3  GLU  52           HB3      GLU  52  15.676  24.626  17.738
  414    HG2  GLU  52           HG2      GLU  52  17.483  23.805  16.424
  415    HG3  GLU  52           HG3      GLU  52  17.655  22.357  17.410
  416    H    GLN  53           H        GLN  53  15.719  24.054  21.397
  417    HA   GLN  53           HA       GLN  53  15.054  26.882  21.664
  418    HB2  GLN  53           HB2      GLN  53  13.626  24.857  22.344
  419    HB3  GLN  53           HB3      GLN  53  14.732  24.652  23.707
  420    HG2  GLN  53           HG2      GLN  53  14.149  27.003  24.443
  421    HG3  GLN  53           HG3      GLN  53  13.013  27.100  23.099
  422   HE21  GLN  53          HE21      GLN  53  11.343  27.511  24.793
  423   HE22  GLN  53          HE22      GLN  53  10.679  26.129  25.664
  424    H    LEU  54           H        LEU  54  17.353  24.601  23.260
  425    HA   LEU  54           HA       LEU  54  18.320  26.522  25.180
  426    HB2  LEU  54           HB2      LEU  54  19.650  24.009  24.076
  427    HB3  LEU  54           HB3      LEU  54  20.300  25.000  25.353
  428    HG   LEU  54           HG       LEU  54  19.375  23.393  26.638
  429   HD11  LEU  54          HD11      LEU  54  16.808  24.986  26.255
  430   HD12  LEU  54          HD12      LEU  54  17.250  23.960  27.633
  431   HD13  LEU  54          HD13      LEU  54  18.122  25.452  27.356
  432   HD21  LEU  54          HD21      LEU  54  18.552  22.008  24.879
  433   HD22  LEU  54          HD22      LEU  54  17.374  22.103  26.186
  434   HD23  LEU  54          HD23      LEU  54  17.099  23.045  24.710
  435    H    ARG  55           H        ARG  55  19.394  25.789  21.874
  436    HA   ARG  55           HA       ARG  55  21.676  27.480  21.698
  437    HB2  ARG  55           HB2      ARG  55  19.553  26.598  19.724
  438    HB3  ARG  55           HB3      ARG  55  20.845  27.695  19.215
  439    HG2  ARG  55           HG2      ARG  55  22.548  26.118  19.616
  440    HG3  ARG  55           HG3      ARG  55  21.516  25.124  20.639
  441    HD2  ARG  55           HD2      ARG  55  21.928  23.998  18.554
  442    HD3  ARG  55           HD3      ARG  55  20.224  24.368  18.706
  443    HE   ARG  55           HE       ARG  55  22.135  25.375  16.705
  444   HH11  ARG  55          HH22      ARG  55  18.955  26.139  18.008
  445   HH12  ARG  55          HH21      ARG  55  18.324  26.465  16.412
  446   HH21  ARG  55          HH12      ARG  55  21.325  25.900  14.835
  447   HH22  ARG  55          HH11      ARG  55  19.627  26.305  14.621
  448    H    GLY  56           H        GLY  56  18.298  28.427  21.858
  449    HA2  GLY  56           HA2      GLY  56  18.426  31.033  20.751
  450    HA3  GLY  56           HA3      GLY  56  17.306  30.494  22.011
  451    H    GLU  57           H        GLU  57  19.215  29.994  24.162
  452    HA   GLU  57           HA       GLU  57  19.605  32.673  25.129
  453    HB2  GLU  57           HB2      GLU  57  20.647  30.008  26.053
  454    HB3  GLU  57           HB3      GLU  57  21.215  31.499  26.788
  455    HG2  GLU  57           HG2      GLU  57  18.294  30.653  26.722
  456    HG3  GLU  57           HG3      GLU  57  19.450  30.389  27.998
  457    H    ILE  58           H        ILE  58  21.774  30.412  23.472
  458    HA   ILE  58           HA       ILE  58  24.198  31.932  23.871
  459    HB   ILE  58           HB       ILE  58  23.713  29.963  21.606
  460   HG12  ILE  58          HG12      ILE  58  24.537  29.262  24.458
  461   HG13  ILE  58          HG13      ILE  58  22.986  28.861  23.708
  462   HG21  ILE  58          HG21      ILE  58  26.234  30.671  23.188
  463   HG22  ILE  58          HG22      ILE  58  26.131  29.639  21.739
  464   HG23  ILE  58          HG23      ILE  58  25.810  31.355  21.605
  465   HD11  ILE  58          HD11      ILE  58  25.688  27.738  22.922
  466   HD12  ILE  58          HD12      ILE  58  24.324  26.896  23.665
  467   HD13  ILE  58          HD13      ILE  58  24.186  27.487  21.997
  468    H    TYR  59           H        TYR  59  21.827  31.649  21.191
  469    HA   TYR  59           HA       TYR  59  23.193  33.479  19.492
  470    HB2  TYR  59           HB2      TYR  59  21.280  31.716  19.035
  471    HB3  TYR  59           HB3      TYR  59  20.216  33.096  19.281
  472    HD1  TYR  59           HD1      TYR  59  20.549  35.177  17.781
  473    HD2  TYR  59           HD2      TYR  59  22.662  31.475  17.146
  474    HE1  TYR  59           HE1      TYR  59  21.097  35.883  15.452
  475    HE2  TYR  59           HE2      TYR  59  23.255  32.200  14.837
  476    HH   TYR  59           HH       TYR  59  22.174  35.335  13.497
  477    H    GLN  60           H        GLN  60  20.462  34.041  21.778
  478    HA   GLN  60           HA       GLN  60  19.971  36.725  21.089
  479    HB2  GLN  60           HB2      GLN  60  19.655  35.111  23.650
  480    HB3  GLN  60           HB3      GLN  60  19.180  36.801  23.610
  481    HG2  GLN  60           HG2      GLN  60  18.103  34.734  21.633
  482    HG3  GLN  60           HG3      GLN  60  17.331  35.091  23.175
  483   HE21  GLN  60          HE21      GLN  60  15.909  35.458  20.785
  484   HE22  GLN  60          HE22      GLN  60  15.693  37.202  20.548
  485    H    ALA  61           H        ALA  61  22.341  35.484  23.513
  486    HA   ALA  61           HA       ALA  61  23.241  38.222  24.105
  487    HB1  ALA  61           HB1      ALA  61  23.137  36.599  25.898
  488    HB2  ALA  61           HB2      ALA  61  24.229  35.499  25.023
  489    HB3  ALA  61           HB3      ALA  61  24.823  37.064  25.617
  490    H    TYR  62           H        TYR  62  24.647  35.375  22.341
  491    HA   TYR  62           HA       TYR  62  27.068  37.031  21.812
  492    HB2  TYR  62           HB2      TYR  62  26.966  34.025  21.882
  493    HB3  TYR  62           HB3      TYR  62  28.361  35.078  22.000
  494    HD1  TYR  62           HD2      TYR  62  28.443  36.676  24.154
  495    HD2  TYR  62           HD1      TYR  62  26.047  33.118  23.807
  496    HE1  TYR  62           HE2      TYR  62  28.309  36.523  26.635
  497    HE2  TYR  62           HE1      TYR  62  25.881  32.979  26.292
  498    HH   TYR  62           HH       TYR  62  27.618  35.220  28.459
  499    H    LYS  63           H        LYS  63  24.432  36.016  20.136
  500    HA   LYS  63           HA       LYS  63  23.869  35.689  18.021
  501    HB2  LYS  63           HB2      LYS  63  26.316  37.384  17.400
  502    HB3  LYS  63           HB3      LYS  63  24.926  37.163  16.347
  503    HG2  LYS  63           HG2      LYS  63  24.793  38.482  19.094
  504    HG3  LYS  63           HG3      LYS  63  24.967  39.336  17.563
  505    HD2  LYS  63           HD2      LYS  63  22.796  38.638  16.787
  506    HD3  LYS  63           HD3      LYS  63  22.616  37.474  18.095
  507    HE2  LYS  63           HE2      LYS  63  21.264  39.389  18.587
  508    HE3  LYS  63           HE3      LYS  63  22.569  39.269  19.771
  509    HZ1  LYS  63           HZ1      LYS  63  23.752  41.022  18.565
  510    HZ2  LYS  63           HZ2      LYS  63  22.576  41.080  17.414
  511    HZ3  LYS  63           HZ3      LYS  63  22.237  41.528  18.962
  512    H    HIS  64           H        HIS  64  25.410  33.516  18.987
  513    HA   HIS  64           HA       HIS  64  26.133  32.304  16.372
  514    HB2  HIS  64           HB2      HIS  64  27.777  32.124  18.929
  515    HB3  HIS  64           HB3      HIS  64  27.936  31.010  17.577
  516    HD1  HIS  64           HD1      HIS  64  28.471  34.798  18.254
  517    HD2  HIS  64           HD2      HIS  64  29.526  31.684  15.623
  518    HE1  HIS  64           HE1      HIS  64  30.291  35.734  16.730
  519    H    GLU  65           H        GLU  65  25.660  30.072  16.225
  520    HA   GLU  65           HA       GLU  65  23.997  28.958  18.458
  521    HB2  GLU  65           HB2      GLU  65  23.016  27.534  16.529
  522    HB3  GLU  65           HB3      GLU  65  22.439  29.151  16.862
  523    HG2  GLU  65           HG2      GLU  65  22.578  28.747  14.481
  524    HG3  GLU  65           HG3      GLU  65  23.589  30.085  14.979
  525    H    THR  66           H        THR  66  26.686  28.227  16.282
  526    HA   THR  66           HA       THR  66  27.634  26.378  18.368
  527    HB   THR  66           HB       THR  66  26.532  24.702  17.192
  528    HG1  THR  66           HG1      THR  66  28.766  24.280  15.719
  529   HG21  THR  66          HG21      THR  66  25.852  25.730  15.149
  530   HG22  THR  66          HG22      THR  66  26.775  24.288  14.742
  531   HG23  THR  66          HG23      THR  66  27.523  25.903  14.585
  532    H    VAL  67           H        VAL  67  29.842  25.964  18.261
  533    HA   VAL  67           HA       VAL  67  31.535  27.168  16.291
  534    HB   VAL  67           HB       VAL  67  32.626  28.407  18.629
  535   HG11  VAL  67          HG11      VAL  67  32.553  30.391  17.220
  536   HG12  VAL  67          HG12      VAL  67  33.078  28.980  16.291
  537   HG13  VAL  67          HG13      VAL  67  31.419  29.593  16.111
  538   HG21  VAL  67          HG21      VAL  67  31.082  30.174  19.143
  539   HG22  VAL  67          HG22      VAL  67  29.851  29.510  18.059
  540   HG23  VAL  67          HG23      VAL  67  30.304  28.638  19.543
  541    HA   PRO  68           HA       PRO  68  30.272  25.024  19.441
  542    HB2  PRO  68           HB2      PRO  68  31.237  23.876  21.686
  543    HB3  PRO  68           HB3      PRO  68  31.103  22.982  20.145
  544    HG2  PRO  68           HG2      PRO  68  33.550  24.399  21.260
  545    HG3  PRO  68           HG3      PRO  68  33.420  22.696  20.714
  546    HD2  PRO  68           HD2      PRO  68  34.345  24.609  19.049
  547    HD3  PRO  68           HD3      PRO  68  33.232  23.354  18.432
  548    H    ALA  69           H        ALA  69  29.553  25.736  21.685
  549    HA   ALA  69           HA       ALA  69  30.756  28.396  22.322
  550    HB1  ALA  69           HB1      ALA  69  28.625  28.804  23.502
  551    HB2  ALA  69           HB2      ALA  69  28.364  28.386  21.795
  552    HB3  ALA  69           HB3      ALA  69  28.073  27.175  23.064
  553    H    ILE  70           H        ILE  70  31.860  28.740  24.192
  554    HA   ILE  70           HA       ILE  70  32.188  26.421  26.056
  555    HB   ILE  70           HB       ILE  70  34.263  28.211  24.739
  556   HG12  ILE  70          HG12      ILE  70  34.178  25.188  24.487
  557   HG13  ILE  70          HG13      ILE  70  33.188  26.166  23.421
  558   HG21  ILE  70          HG21      ILE  70  35.004  27.737  27.007
  559   HG22  ILE  70          HG22      ILE  70  34.647  26.006  26.809
  560   HG23  ILE  70          HG23      ILE  70  35.954  26.773  25.886
  561   HD11  ILE  70          HD11      ILE  70  35.286  25.645  22.331
  562   HD12  ILE  70          HD12      ILE  70  35.142  27.392  22.599
  563   HD13  ILE  70          HD13      ILE  70  36.195  26.411  23.636
  564    H    PHE  71           H        PHE  71  32.292  26.886  28.214
  565    HA   PHE  71           HA       PHE  71  32.482  29.738  29.038
  566    HB2  PHE  71           HB2      PHE  71  30.443  27.706  29.979
  567    HB3  PHE  71           HB3      PHE  71  30.656  29.323  30.631
  568    HD1  PHE  71           HD2      PHE  71  29.604  27.431  27.575
  569    HD2  PHE  71           HD1      PHE  71  29.555  31.208  29.658
  570    HE1  PHE  71           HE2      PHE  71  27.915  28.305  25.971
  571    HE2  PHE  71           HE1      PHE  71  27.823  32.044  28.093
  572    HZ   PHE  71           HZ       PHE  71  27.009  30.595  26.241
  573    H    ILE  72           H        ILE  72  33.385  30.153  31.015
  574    HA   ILE  72           HA       ILE  72  34.306  27.859  32.694
  575    HB   ILE  72           HB       ILE  72  35.997  30.290  32.004
  576   HG12  ILE  72          HG12      ILE  72  36.184  27.349  31.203
  577   HG13  ILE  72          HG13      ILE  72  35.948  28.725  30.137
  578   HG21  ILE  72          HG21      ILE  72  36.668  27.864  33.758
  579   HG22  ILE  72          HG22      ILE  72  37.708  29.267  33.445
  580   HG23  ILE  72          HG23      ILE  72  36.247  29.450  34.404
  581   HD11  ILE  72          HD11      ILE  72  38.234  29.519  30.625
  582   HD12  ILE  72          HD12      ILE  72  38.511  28.069  31.640
  583   HD13  ILE  72          HD13      ILE  72  38.190  27.901  29.909
  584    H    ASN  73           H        ASN  73  33.590  28.049  34.709
  585    HA   ASN  73           HA       ASN  73  32.235  28.819  36.365
  586    HB2  ASN  73           HB2      ASN  73  34.280  31.065  36.327
  587    HB3  ASN  73           HB3      ASN  73  33.218  30.685  37.669
  588   HD21  ASN  73          HD21      ASN  73  33.309  28.260  38.122
  589   HD22  ASN  73          HD22      ASN  73  34.922  27.677  38.553
  590    H    GLY  74           H        GLY  74  30.830  29.265  34.151
  591    HA2  GLY  74           HA2      GLY  74  28.886  30.374  33.465
  592    HA3  GLY  74           HA3      GLY  74  29.137  31.522  34.767
  593    H    ASN  75           H        ASN  75  32.011  31.829  33.171
  594    HA   ASN  75           HA       ASN  75  31.095  34.207  31.648
  595    HB2  ASN  75           HB2      ASN  75  33.838  33.150  32.447
  596    HB3  ASN  75           HB3      ASN  75  33.600  34.581  31.507
  597   HD21  ASN  75          HD21      ASN  75  34.491  33.797  34.478
  598   HD22  ASN  75          HD22      ASN  75  33.745  35.123  35.363
  599    H    PHE  76           H        PHE  76  31.436  34.466  29.404
  600    HA   PHE  76           HA       PHE  76  31.519  31.946  27.892
  601    HB2  PHE  76           HB2      PHE  76  29.694  33.474  27.531
  602    HB3  PHE  76           HB3      PHE  76  30.791  34.804  27.207
  603    HD1  PHE  76           HD2      PHE  76  30.097  31.321  25.886
  604    HD2  PHE  76           HD1      PHE  76  31.146  35.405  24.979
  605    HE1  PHE  76           HE2      PHE  76  30.015  30.813  23.461
  606    HE2  PHE  76           HE1      PHE  76  31.079  34.885  22.559
  607    HZ   PHE  76           HZ       PHE  76  30.491  32.597  21.790
  608    H    ILE  77           H        ILE  77  32.837  31.341  26.312
  609    HA   ILE  77           HA       ILE  77  34.781  33.172  25.044
  610    HB   ILE  77           HB       ILE  77  35.344  30.334  26.003
  611   HG12  ILE  77          HG12      ILE  77  35.704  31.987  27.778
  612   HG13  ILE  77          HG13      ILE  77  37.191  31.220  27.273
  613   HG21  ILE  77          HG21      ILE  77  36.302  30.476  23.801
  614   HG22  ILE  77          HG22      ILE  77  37.003  32.070  24.141
  615   HG23  ILE  77          HG23      ILE  77  37.618  30.624  24.963
  616   HD11  ILE  77          HD11      ILE  77  36.333  34.024  26.423
  617   HD12  ILE  77          HD12      ILE  77  37.490  33.630  27.704
  618   HD13  ILE  77          HD13      ILE  77  37.870  33.228  26.023
  619    H    GLY  78           H        GLY  78  34.519  33.095  22.814
  620    HA2  GLY  78           HA2      GLY  78  33.043  30.701  21.679
  621    HA3  GLY  78           HA3      GLY  78  32.913  32.329  21.052
  622    H    GLY  79           H        GLY  79  34.411  29.419  20.721
  623    HA2  GLY  79           HA2      GLY  79  35.290  29.069  18.398
  624    HA3  GLY  79           HA3      GLY  79  36.406  30.394  18.725
  625    H    CYS  80           H        CYS  80  36.753  27.334  18.224
  626    HA   CYS  80           HA       CYS  80  37.917  26.299  20.682
  627    HB2  CYS  80           HB2      CYS  80  37.035  24.852  18.894
  628    HB3  CYS  80           HB3      CYS  80  38.351  25.365  17.816
  629    HG   CYS  80           HG       CYS  80  40.311  24.541  19.260
  630    H    SER  81           H        SER  81  39.377  27.870  17.776
  631    HA   SER  81           HA       SER  81  41.989  28.000  18.885
  632    HB2  SER  81           HB2      SER  81  42.496  29.631  17.183
  633    HB3  SER  81           HB3      SER  81  41.544  28.305  16.507
  634    HG   SER  81           HG       SER  81  40.855  30.310  15.786
  635    H    ASP  82           H        ASP  82  39.205  29.966  19.573
  636    HA   ASP  82           HA       ASP  82  40.595  32.079  20.989
  637    HB2  ASP  82           HB2      ASP  82  38.087  31.765  20.013
  638    HB3  ASP  82           HB3      ASP  82  37.750  31.339  21.669
  639    H    LEU  83           H        LEU  83  39.088  29.019  21.937
  640    HA   LEU  83           HA       LEU  83  39.748  29.154  24.760
  641    HB2  LEU  83           HB2      LEU  83  38.030  27.657  24.065
  642    HB3  LEU  83           HB3      LEU  83  39.049  26.909  22.844
  643    HG   LEU  83           HG       LEU  83  40.484  25.928  24.658
  644   HD11  LEU  83          HD11      LEU  83  39.520  25.798  26.941
  645   HD12  LEU  83          HD12      LEU  83  39.953  27.458  26.505
  646   HD13  LEU  83          HD13      LEU  83  38.253  26.950  26.470
  647   HD21  LEU  83          HD21      LEU  83  37.578  25.103  24.884
  648   HD22  LEU  83          HD22      LEU  83  38.653  24.666  23.535
  649   HD23  LEU  83          HD23      LEU  83  39.029  24.119  25.168
  650    H    GLU  84           H        GLU  84  41.449  27.517  22.004
  651    HA   GLU  84           HA       GLU  84  43.669  26.754  23.655
  652    HB2  GLU  84           HB2      GLU  84  43.446  26.933  20.638
  653    HB3  GLU  84           HB3      GLU  84  44.896  26.394  21.521
  654    HG2  GLU  84           HG2      GLU  84  43.484  24.708  22.724
  655    HG3  GLU  84           HG3      GLU  84  42.171  25.066  21.593
  656    H    ALA  85           H        ALA  85  43.019  29.853  22.058
  657    HA   ALA  85           HA       ALA  85  45.662  30.913  22.267
  658    HB1  ALA  85           HB1      ALA  85  44.515  33.115  22.397
  659    HB2  ALA  85           HB2      ALA  85  43.870  32.096  21.104
  660    HB3  ALA  85           HB3      ALA  85  42.959  32.291  22.619
  661    H    LEU  86           H        LEU  86  43.128  30.497  24.791
  662    HA   LEU  86           HA       LEU  86  44.678  31.750  26.895
  663    HB2  LEU  86           HB2      LEU  86  42.382  29.763  27.063
  664    HB3  LEU  86           HB3      LEU  86  43.032  30.710  28.393
  665    HG   LEU  86           HG       LEU  86  41.646  31.863  25.940
  666   HD11  LEU  86          HD11      LEU  86  40.711  31.573  28.827
  667   HD12  LEU  86          HD12      LEU  86  39.829  32.369  27.508
  668   HD13  LEU  86          HD13      LEU  86  40.129  30.627  27.433
  669   HD21  LEU  86          HD21      LEU  86  43.263  33.480  26.846
  670   HD22  LEU  86          HD22      LEU  86  41.617  33.974  27.242
  671   HD23  LEU  86          HD23      LEU  86  42.624  33.222  28.497
  672    H    ASP  87           H        ASP  87  44.605  28.468  25.569
  673    HA   ASP  87           HA       ASP  87  46.272  27.260  27.646
  674    HB2  ASP  87           HB2      ASP  87  44.762  26.006  26.054
  675    HB3  ASP  87           HB3      ASP  87  45.897  26.371  24.763
  676    H    LYS  88           H        LYS  88  46.886  28.855  24.558
  677    HA   LYS  88           HA       LYS  88  49.774  28.545  24.553
  678    HB2  LYS  88           HB2      LYS  88  47.723  30.099  22.987
  679    HB3  LYS  88           HB3      LYS  88  49.375  30.694  22.953
  680    HG2  LYS  88           HG2      LYS  88  48.920  29.213  21.077
  681    HG3  LYS  88           HG3      LYS  88  50.229  28.631  22.104
  682    HD2  LYS  88           HD2      LYS  88  48.732  26.914  23.089
  683    HD3  LYS  88           HD3      LYS  88  47.371  27.579  22.187
  684    HE2  LYS  88           HE2      LYS  88  48.199  25.604  21.048
  685    HE3  LYS  88           HE3      LYS  88  48.420  27.049  20.055
  686    HZ1  LYS  88           HZ1      LYS  88  50.571  25.817  21.697
  687    HZ2  LYS  88           HZ2      LYS  88  50.391  25.616  20.054
  688    HZ3  LYS  88           HZ3      LYS  88  50.739  27.082  20.660
  689    H    GLU  89           H        GLU  89  47.685  31.244  25.642
  690    HA   GLU  89           HA       GLU  89  49.982  32.757  26.639
  691    HB2  GLU  89           HB2      GLU  89  47.001  33.117  27.186
  692    HB3  GLU  89           HB3      GLU  89  48.286  34.225  27.645
  693    HG2  GLU  89           HG2      GLU  89  48.783  34.152  24.999
  694    HG3  GLU  89           HG3      GLU  89  47.059  33.806  24.954
  695    H    GLY  90           H        GLY  90  48.522  29.999  27.916
  696    HA2  GLY  90           HA2      GLY  90  49.028  28.923  29.904
  697    HA3  GLY  90           HA3      GLY  90  49.965  30.331  30.417
  698    H    LYS  91           H        LYS  91  46.767  31.239  29.536
  699    HA   LYS  91           HA       LYS  91  46.067  31.707  32.369
  700    HB2  LYS  91           HB2      LYS  91  45.040  32.646  29.658
  701    HB3  LYS  91           HB3      LYS  91  44.260  33.046  31.179
  702    HG2  LYS  91           HG2      LYS  91  46.389  34.042  32.026
  703    HG3  LYS  91           HG3      LYS  91  47.155  33.696  30.478
  704    HD2  LYS  91           HD2      LYS  91  44.785  35.570  30.892
  705    HD3  LYS  91           HD3      LYS  91  46.477  36.047  30.719
  706    HE2  LYS  91           HE2      LYS  91  46.540  34.968  28.485
  707    HE3  LYS  91           HE3      LYS  91  44.806  34.604  28.608
  708    HZ1  LYS  91           HZ1      LYS  91  45.926  37.329  28.815
  709    HZ2  LYS  91           HZ2      LYS  91  45.451  36.682  27.384
  710    HZ3  LYS  91           HZ3      LYS  91  44.341  36.938  28.603
  711    H    LEU  92           H        LEU  92  45.165  29.444  29.862
  712    HA   LEU  92           HA       LEU  92  42.713  28.583  31.276
  713    HB2  LEU  92           HB2      LEU  92  43.293  28.341  28.746
  714    HB3  LEU  92           HB3      LEU  92  44.438  27.105  29.220
  715    HG   LEU  92           HG       LEU  92  42.528  25.784  30.185
  716   HD11  LEU  92          HD11      LEU  92  40.889  27.551  30.598
  717   HD12  LEU  92          HD12      LEU  92  40.831  27.934  28.863
  718   HD13  LEU  92          HD13      LEU  92  40.224  26.375  29.459
  719   HD21  LEU  92          HD21      LEU  92  41.632  25.065  28.002
  720   HD22  LEU  92          HD22      LEU  92  42.284  26.541  27.250
  721   HD23  LEU  92          HD23      LEU  92  43.381  25.324  27.935
  722    H    ASP  93           H        ASP  93  46.091  27.878  31.462
  723    HA   ASP  93           HA       ASP  93  45.849  25.722  33.389
  724    HB2  ASP  93           HB2      ASP  93  48.150  27.614  32.793
  725    HB3  ASP  93           HB3      ASP  93  48.184  26.111  33.697
  726    H    GLY  94           H        GLY  94  46.471  29.292  33.671
  727    HA2  GLY  94           HA2      GLY  94  46.348  29.413  36.511
  728    HA3  GLY  94           HA3      GLY  94  46.059  30.753  35.401
  729    H    LEU  95           H        LEU  95  43.704  29.357  34.177
  730    HA   LEU  95           HA       LEU  95  41.642  30.176  36.034
  731    HB2  LEU  95           HB2      LEU  95  41.684  28.971  33.276
  732    HB3  LEU  95           HB3      LEU  95  40.174  29.050  34.165
  733    HG   LEU  95           HG       LEU  95  41.902  31.528  33.770
  734   HD11  LEU  95          HD11      LEU  95  39.541  30.624  32.080
  735   HD12  LEU  95          HD12      LEU  95  40.447  32.142  31.913
  736   HD13  LEU  95          HD13      LEU  95  41.243  30.604  31.552
  737   HD21  LEU  95          HD21      LEU  95  39.793  32.719  34.184
  738   HD22  LEU  95          HD22      LEU  95  38.940  31.179  34.412
  739   HD23  LEU  95          HD23      LEU  95  40.197  31.688  35.555
  740    H    LEU  96           H        LEU  96  43.152  27.112  35.429
  741    HA   LEU  96           HA       LEU  96  41.282  25.673  37.213
  742    HB2  LEU  96           HB2      LEU  96  43.986  24.868  36.075
  743    HB3  LEU  96           HB3      LEU  96  42.969  23.826  37.061
  744    HG   LEU  96           HG       LEU  96  42.283  24.839  34.318
  745   HD11  LEU  96          HD11      LEU  96  42.434  22.318  33.902
  746   HD12  LEU  96          HD12      LEU  96  43.956  22.970  34.538
  747   HD13  LEU  96          HD13      LEU  96  42.844  22.093  35.588
  748   HD21  LEU  96          HD21      LEU  96  40.254  23.346  34.599
  749   HD22  LEU  96          HD22      LEU  96  40.645  23.220  36.321
  750   HD23  LEU  96          HD23      LEU  96  40.216  24.789  35.578
  751    H    SER  97           H        SER  97  43.146  28.050  38.131
  752    HA   SER  97           HA       SER  97  43.493  26.886  40.852
  753    HB2  SER  97           HB2      SER  97  45.653  26.802  39.536
  754    HB3  SER  97           HB3      SER  97  45.677  28.572  39.589
  755    HG   SER  97           HG       SER  97  45.637  28.434  41.862
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  19.462  27.238  41.331
    2    H2   GLY   1           H2       GLY   1  18.368  26.501  40.341
    3    H3   GLY   1           H3       GLY   1  17.847  27.436  41.592
    4    HA2  GLY   1           HA2      GLY   1  18.748  29.409  40.613
    5    HA3  GLY   1           HA3      GLY   1  19.346  28.426  39.262
    6    H    ALA   2           H        ALA   2  16.932  30.456  40.189
    7    HA   ALA   2           HA       ALA   2  14.593  29.066  39.337
    8    HB1  ALA   2           HB1      ALA   2  14.670  30.846  41.052
    9    HB2  ALA   2           HB2      ALA   2  15.068  32.041  39.796
   10    HB3  ALA   2           HB3      ALA   2  13.494  31.216  39.778
   11    H    MET   3           H        MET   3  16.921  30.586  37.309
   12    HA   MET   3           HA       MET   3  15.032  31.374  35.220
   13    HB2  MET   3           HB2      MET   3  17.166  32.540  35.656
   14    HB3  MET   3           HB3      MET   3  18.055  31.140  35.048
   15    HG2  MET   3           HG2      MET   3  15.958  32.680  33.459
   16    HG3  MET   3           HG3      MET   3  17.670  33.081  33.452
   17    HE1  MET   3           HE1      MET   3  17.509  33.074  30.832
   18    HE2  MET   3           HE2      MET   3  17.024  31.668  29.861
   19    HE3  MET   3           HE3      MET   3  15.826  32.510  30.865
   20    HA   PRO   4           HA       PRO   4  14.792  27.071  34.106
   21    HB2  PRO   4           HB2      PRO   4  12.668  27.073  32.424
   22    HB3  PRO   4           HB3      PRO   4  12.526  27.600  34.124
   23    HG2  PRO   4           HG2      PRO   4  12.963  29.364  31.682
   24    HG3  PRO   4           HG3      PRO   4  11.678  29.509  32.928
   25    HD2  PRO   4           HD2      PRO   4  14.005  30.937  33.078
   26    HD3  PRO   4           HD3      PRO   4  13.189  30.303  34.538
   27    H    SER   5           H        SER   5  16.988  28.365  32.769
   28    HA   SER   5           HA       SER   5  17.198  26.615  30.439
   29    HB2  SER   5           HB2      SER   5  16.229  28.922  29.656
   30    HB3  SER   5           HB3      SER   5  17.878  29.510  29.863
   31    HG   SER   5           HG       SER   5  16.902  28.176  27.836
   32    H    ILE   6           H        ILE   6  19.424  27.501  29.312
   33    HA   ILE   6           HA       ILE   6  21.307  26.247  30.907
   34    HB   ILE   6           HB       ILE   6  23.021  27.030  29.218
   35   HG12  ILE   6          HG12      ILE   6  20.710  27.920  27.568
   36   HG13  ILE   6          HG13      ILE   6  21.638  29.111  28.509
   37   HG21  ILE   6          HG21      ILE   6  22.041  25.511  27.539
   38   HG22  ILE   6          HG22      ILE   6  21.996  24.896  29.179
   39   HG23  ILE   6          HG23      ILE   6  20.520  25.562  28.465
   40   HD11  ILE   6          HD11      ILE   6  22.498  29.040  26.248
   41   HD12  ILE   6          HD12      ILE   6  23.711  28.318  27.315
   42   HD13  ILE   6          HD13      ILE   6  22.678  27.279  26.298
   43    H    ALA   7           H        ALA   7  20.587  29.648  31.074
   44    HA   ALA   7           HA       ALA   7  22.992  30.679  32.143
   45    HB1  ALA   7           HB1      ALA   7  21.565  32.317  33.235
   46    HB2  ALA   7           HB2      ALA   7  20.964  31.992  31.599
   47    HB3  ALA   7           HB3      ALA   7  20.134  31.280  32.999
   48    H    SER   8           H        SER   8  20.483  28.706  33.810
   49    HA   SER   8           HA       SER   8  21.819  28.779  36.439
   50    HB2  SER   8           HB2      SER   8  19.649  26.951  35.324
   51    HB3  SER   8           HB3      SER   8  20.128  27.097  37.028
   52    HG   SER   8           HG       SER   8  18.310  28.500  35.770
   53    H    MET   9           H        MET   9  21.719  26.594  33.636
   54    HA   MET   9           HA       MET   9  23.182  24.433  34.784
   55    HB2  MET   9           HB2      MET   9  22.998  25.209  31.849
   56    HB3  MET   9           HB3      MET   9  23.502  23.655  32.506
   57    HG2  MET   9           HG2      MET   9  21.309  23.257  33.466
   58    HG3  MET   9           HG3      MET   9  20.749  24.852  33.017
   59    HE1  MET   9           HE1      MET   9  22.901  22.959  30.270
   60    HE2  MET   9           HE2      MET   9  22.315  21.608  31.268
   61    HE3  MET   9           HE3      MET   9  21.701  21.829  29.619
   62    H    ILE  10           H        ILE  10  24.381  27.476  33.370
   63    HA   ILE  10           HA       ILE  10  27.099  26.764  33.039
   64    HB   ILE  10           HB       ILE  10  26.335  29.472  34.192
   65   HG12  ILE  10          HG12      ILE  10  24.715  29.247  32.474
   66   HG13  ILE  10          HG13      ILE  10  25.941  30.342  31.928
   67   HG21  ILE  10          HG21      ILE  10  28.107  30.212  32.570
   68   HG22  ILE  10          HG22      ILE  10  28.667  29.196  33.902
   69   HG23  ILE  10          HG23      ILE  10  28.472  28.496  32.281
   70   HD11  ILE  10          HD11      ILE  10  26.934  28.585  30.476
   71   HD12  ILE  10          HD12      ILE  10  25.693  27.432  31.018
   72   HD13  ILE  10          HD13      ILE  10  25.228  28.871  30.095
   73    H    LYS  11           H        LYS  11  25.302  27.243  36.020
   74    HA   LYS  11           HA       LYS  11  27.646  27.316  37.775
   75    HB2  LYS  11           HB2      LYS  11  24.673  27.220  38.349
   76    HB3  LYS  11           HB3      LYS  11  25.981  27.516  39.512
   77    HG2  LYS  11           HG2      LYS  11  26.700  29.491  38.117
   78    HG3  LYS  11           HG3      LYS  11  25.265  29.255  37.091
   79    HD2  LYS  11           HD2      LYS  11  23.823  29.461  39.052
   80    HD3  LYS  11           HD3      LYS  11  25.268  29.744  40.069
   81    HE2  LYS  11           HE2      LYS  11  25.821  31.702  38.509
   82    HE3  LYS  11           HE3      LYS  11  24.212  31.493  37.795
   83    HZ1  LYS  11           HZ1      LYS  11  24.850  32.169  40.605
   84    HZ2  LYS  11           HZ2      LYS  11  24.181  33.167  39.528
   85    HZ3  LYS  11           HZ3      LYS  11  23.298  31.857  40.051
   86    H    GLY  12           H        GLY  12  26.141  24.735  36.184
   87    HA2  GLY  12           HA2      GLY  12  25.974  22.818  38.336
   88    HA3  GLY  12           HA3      GLY  12  25.885  22.491  36.606
   89    H    ASN  13           H        ASN  13  28.525  23.490  35.919
   90    HA   ASN  13           HA       ASN  13  30.455  21.872  37.488
   91    HB2  ASN  13           HB2      ASN  13  29.865  21.538  34.506
   92    HB3  ASN  13           HB3      ASN  13  31.426  21.106  35.200
   93   HD21  ASN  13          HD21      ASN  13  31.170  19.794  37.373
   94   HD22  ASN  13          HD22      ASN  13  30.047  18.453  37.256
   95    H    LYS  14           H        LYS  14  32.695  22.351  37.010
   96    HA   LYS  14           HA       LYS  14  33.161  25.154  37.052
   97    HB2  LYS  14           HB2      LYS  14  34.626  23.328  37.997
   98    HB3  LYS  14           HB3      LYS  14  35.227  23.010  36.364
   99    HG2  LYS  14           HG2      LYS  14  35.970  25.392  36.170
  100    HG3  LYS  14           HG3      LYS  14  35.381  25.713  37.788
  101    HD2  LYS  14           HD2      LYS  14  37.730  23.996  36.956
  102    HD3  LYS  14           HD3      LYS  14  37.754  25.494  37.877
  103    HE2  LYS  14           HE2      LYS  14  36.863  22.746  38.789
  104    HE3  LYS  14           HE3      LYS  14  38.246  23.694  39.339
  105    HZ1  LYS  14           HZ1      LYS  14  36.686  25.291  40.307
  106    HZ2  LYS  14           HZ2      LYS  14  35.392  24.406  39.850
  107    HZ3  LYS  14           HZ3      LYS  14  36.459  23.830  40.965
  108    H    VAL  15           H        VAL  15  33.792  22.856  34.363
  109    HA   VAL  15           HA       VAL  15  33.586  25.164  32.485
  110    HB   VAL  15           HB       VAL  15  35.022  22.554  31.943
  111   HG11  VAL  15          HG11      VAL  15  35.933  23.819  30.007
  112   HG12  VAL  15          HG12      VAL  15  34.187  23.589  29.904
  113   HG13  VAL  15          HG13      VAL  15  34.837  25.163  30.389
  114   HG21  VAL  15          HG21      VAL  15  36.351  23.636  33.574
  115   HG22  VAL  15          HG22      VAL  15  37.059  24.111  32.024
  116   HG23  VAL  15          HG23      VAL  15  36.028  25.243  32.909
  117    H    VAL  16           H        VAL  16  31.963  25.234  31.116
  118    HA   VAL  16           HA       VAL  16  30.296  22.782  30.598
  119    HB   VAL  16           HB       VAL  16  29.320  25.621  31.110
  120   HG11  VAL  16          HG11      VAL  16  27.047  24.571  30.900
  121   HG12  VAL  16          HG12      VAL  16  27.936  24.601  29.374
  122   HG13  VAL  16          HG13      VAL  16  27.837  23.089  30.309
  123   HG21  VAL  16          HG21      VAL  16  29.859  24.431  33.200
  124   HG22  VAL  16          HG22      VAL  16  28.110  24.554  33.013
  125   HG23  VAL  16          HG23      VAL  16  28.929  23.018  32.659
  126    H    VAL  17           H        VAL  17  30.157  22.306  28.473
  127    HA   VAL  17           HA       VAL  17  30.724  24.442  26.452
  128    HB   VAL  17           HB       VAL  17  31.513  21.516  26.602
  129   HG11  VAL  17          HG11      VAL  17  30.886  21.938  24.254
  130   HG12  VAL  17          HG12      VAL  17  31.855  23.429  24.241
  131   HG13  VAL  17          HG13      VAL  17  32.636  21.841  24.402
  132   HG21  VAL  17          HG21      VAL  17  33.097  24.090  26.404
  133   HG22  VAL  17          HG22      VAL  17  32.985  23.019  27.818
  134   HG23  VAL  17          HG23      VAL  17  33.787  22.457  26.346
  135    H    PHE  18           H        PHE  18  29.547  24.532  24.573
  136    HA   PHE  18           HA       PHE  18  27.223  22.649  24.225
  137    HB2  PHE  18           HB2      PHE  18  27.329  25.616  23.572
  138    HB3  PHE  18           HB3      PHE  18  26.034  24.516  23.135
  139    HD1  PHE  18           HD2      PHE  18  24.741  23.322  24.959
  140    HD2  PHE  18           HD1      PHE  18  27.354  26.658  25.748
  141    HE1  PHE  18           HE2      PHE  18  23.628  23.668  27.149
  142    HE2  PHE  18           HE1      PHE  18  26.208  27.030  27.928
  143    HZ   PHE  18           HZ       PHE  18  24.325  25.556  28.599
  144    H    SER  19           H        SER  19  27.326  21.538  22.398
  145    HA   SER  19           HA       SER  19  28.959  22.378  20.049
  146    HB2  SER  19           HB2      SER  19  29.312  19.777  21.596
  147    HB3  SER  19           HB3      SER  19  30.088  20.201  20.065
  148    HG   SER  19           HG       SER  19  31.519  20.640  21.635
  149    H    TRP  20           H        TRP  20  28.849  20.668  18.296
  150    HA   TRP  20           HA       TRP  20  26.364  18.994  18.364
  151    HB2  TRP  20           HB2      TRP  20  27.559  20.357  15.938
  152    HB3  TRP  20           HB3      TRP  20  26.253  19.187  15.913
  153    HD1  TRP  20           HD1      TRP  20  24.638  20.712  18.432
  154    HE1  TRP  20           HE1      TRP  20  23.098  22.628  17.661
  155    HE3  TRP  20           HE3      TRP  20  26.945  21.928  14.015
  156    HZ2  TRP  20           HZ2      TRP  20  23.090  24.648  15.602
  157    HZ3  TRP  20           HZ3      TRP  20  26.206  23.909  12.716
  158    HH2  TRP  20           HH2      TRP  20  24.277  25.266  13.484
  159    H    VAL  21           H        VAL  21  26.593  16.914  17.618
  160    HA   VAL  21           HA       VAL  21  29.251  16.061  16.592
  161    HB   VAL  21           HB       VAL  21  28.476  13.761  16.590
  162   HG11  VAL  21          HG11      VAL  21  28.368  15.111  19.316
  163   HG12  VAL  21          HG12      VAL  21  28.736  13.404  19.001
  164   HG13  VAL  21          HG13      VAL  21  29.840  14.662  18.430
  165   HG21  VAL  21          HG21      VAL  21  26.015  14.061  16.596
  166   HG22  VAL  21          HG22      VAL  21  26.581  13.041  17.926
  167   HG23  VAL  21          HG23      VAL  21  26.111  14.721  18.250
  168    H    THR  22           H        THR  22  28.031  15.721  13.230
  169    HA   THR  22           HA       THR  22  30.367  15.344  15.059
  170    HB   THR  22           HB       THR  22  31.355  14.280  12.994
  171    HG1  THR  22           HG1      THR  22  29.942  13.530  11.481
  172   HG21  THR  22          HG21      THR  22  28.881  12.931  14.154
  173   HG22  THR  22          HG22      THR  22  30.491  12.967  14.916
  174   HG23  THR  22          HG23      THR  22  30.262  12.132  13.375
  175    H    CYS  23           H        CYS  23  31.907  16.909  15.075
  176    HA   CYS  23           HA       CYS  23  31.793  19.074  13.020
  177    HB2  CYS  23           HB2      CYS  23  30.353  19.727  14.833
  178    HB3  CYS  23           HB3      CYS  23  31.554  19.242  16.035
  179    HG   CYS  23           HG       CYS  23  31.782  21.635  13.729
  180    HA   PRO  24           HA       PRO  24  36.201  18.125  13.411
  181    HB2  PRO  24           HB2      PRO  24  36.352  20.334  11.366
  182    HB3  PRO  24           HB3      PRO  24  37.216  18.765  11.408
  183    HG2  PRO  24           HG2      PRO  24  35.066  19.071   9.806
  184    HG3  PRO  24           HG3      PRO  24  35.235  17.572  10.781
  185    HD2  PRO  24           HD2      PRO  24  33.570  20.030  11.391
  186    HD3  PRO  24           HD3      PRO  24  33.109  18.309  11.484
  187    H    TYR  25           H        TYR  25  34.649  21.112  14.259
  188    HA   TYR  25           HA       TYR  25  37.077  22.063  15.654
  189    HB2  TYR  25           HB2      TYR  25  34.224  23.108  15.745
  190    HB3  TYR  25           HB3      TYR  25  35.621  23.857  16.472
  191    HD1  TYR  25           HD1      TYR  25  37.497  23.230  13.932
  192    HD2  TYR  25           HD2      TYR  25  33.674  25.155  14.522
  193    HE1  TYR  25           HE1      TYR  25  37.847  24.557  11.876
  194    HE2  TYR  25           HE2      TYR  25  34.052  26.510  12.468
  195    HH   TYR  25           HH       TYR  25  37.021  26.174  10.486
  196    H    CYS  26           H        CYS  26  33.932  20.575  16.616
  197    HA   CYS  26           HA       CYS  26  34.342  20.924  19.388
  198    HB2  CYS  26           HB2      CYS  26  32.219  20.342  18.400
  199    HB3  CYS  26           HB3      CYS  26  32.800  18.762  17.880
  200    HG   CYS  26           HG       CYS  26  33.362  17.808  20.270
  201    H    VAL  27           H        VAL  27  35.418  18.276  17.322
  202    HA   VAL  27           HA       VAL  27  36.566  16.429  19.012
  203    HB   VAL  27           HB       VAL  27  36.412  16.473  16.691
  204   HG11  VAL  27          HG11      VAL  27  38.801  18.010  16.152
  205   HG12  VAL  27          HG12      VAL  27  37.655  17.231  15.045
  206   HG13  VAL  27          HG13      VAL  27  37.079  18.551  16.064
  207   HG21  VAL  27          HG21      VAL  27  39.288  15.878  17.534
  208   HG22  VAL  27          HG22      VAL  27  37.917  14.775  17.821
  209   HG23  VAL  27          HG23      VAL  27  38.445  15.117  16.166
  210    H    ARG  28           H        ARG  28  38.009  19.023  17.611
  211    HA   ARG  28           HA       ARG  28  40.597  19.154  18.813
  212    HB2  ARG  28           HB2      ARG  28  39.218  21.811  18.314
  213    HB3  ARG  28           HB3      ARG  28  40.925  21.405  18.228
  214    HG2  ARG  28           HG2      ARG  28  40.405  19.974  16.208
  215    HG3  ARG  28           HG3      ARG  28  38.756  20.613  16.274
  216    HD2  ARG  28           HD2      ARG  28  39.591  22.909  15.980
  217    HD3  ARG  28           HD3      ARG  28  41.258  22.302  15.912
  218    HE   ARG  28           HE       ARG  28  39.845  20.835  13.992
  219   HH11  ARG  28          HH22      ARG  28  40.550  24.313  14.295
  220   HH12  ARG  28          HH21      ARG  28  40.414  24.482  12.551
  221   HH21  ARG  28          HH12      ARG  28  39.805  21.239  11.826
  222   HH22  ARG  28          HH11      ARG  28  39.964  22.902  11.274
  223    H    ALA  29           H        ALA  29  37.724  20.886  20.014
  224    HA   ALA  29           HA       ALA  29  38.943  21.847  22.419
  225    HB1  ALA  29           HB1      ALA  29  36.992  22.938  21.464
  226    HB2  ALA  29           HB2      ALA  29  36.009  21.469  21.677
  227    HB3  ALA  29           HB3      ALA  29  36.600  22.369  23.091
  228    H    GLU  30           H        GLU  30  36.747  18.986  21.954
  229    HA   GLU  30           HA       GLU  30  36.720  18.160  24.705
  230    HB2  GLU  30           HB2      GLU  30  36.637  16.524  22.114
  231    HB3  GLU  30           HB3      GLU  30  36.248  15.870  23.703
  232    HG2  GLU  30           HG2      GLU  30  34.290  17.281  23.899
  233    HG3  GLU  30           HG3      GLU  30  34.665  18.128  22.398
  234    H    LYS  31           H        LYS  31  39.152  17.643  22.251
  235    HA   LYS  31           HA       LYS  31  40.698  15.772  23.850
  236    HB2  LYS  31           HB2      LYS  31  40.893  15.582  21.522
  237    HB3  LYS  31           HB3      LYS  31  41.013  17.298  21.270
  238    HG2  LYS  31           HG2      LYS  31  43.320  16.110  22.748
  239    HG3  LYS  31           HG3      LYS  31  43.089  15.511  21.109
  240    HD2  LYS  31           HD2      LYS  31  43.298  18.461  21.837
  241    HD3  LYS  31           HD3      LYS  31  44.618  17.495  21.210
  242    HE2  LYS  31           HE2      LYS  31  41.993  17.850  19.682
  243    HE3  LYS  31           HE3      LYS  31  43.341  18.982  19.561
  244    HZ1  LYS  31           HZ1      LYS  31  43.374  17.348  17.830
  245    HZ2  LYS  31           HZ2      LYS  31  44.723  17.156  18.739
  246    HZ3  LYS  31           HZ3      LYS  31  43.434  16.099  18.849
  247    H    LEU  32           H        LEU  32  41.133  19.206  23.042
  248    HA   LEU  32           HA       LEU  32  43.407  19.768  24.628
  249    HB2  LEU  32           HB2      LEU  32  42.171  21.107  22.819
  250    HB3  LEU  32           HB3      LEU  32  41.051  21.556  24.099
  251    HG   LEU  32           HG       LEU  32  42.662  23.287  23.466
  252   HD11  LEU  32          HD11      LEU  32  43.274  22.500  26.320
  253   HD12  LEU  32          HD12      LEU  32  43.259  24.109  25.595
  254   HD13  LEU  32          HD13      LEU  32  41.731  23.234  25.798
  255   HD21  LEU  32          HD21      LEU  32  45.011  23.185  23.974
  256   HD22  LEU  32          HD22      LEU  32  44.847  21.561  24.674
  257   HD23  LEU  32          HD23      LEU  32  44.579  21.821  22.934
  258    H    LEU  33           H        LEU  33  39.952  20.023  25.517
  259    HA   LEU  33           HA       LEU  33  40.349  21.205  28.053
  260    HB2  LEU  33           HB2      LEU  33  38.108  19.516  26.819
  261    HB3  LEU  33           HB3      LEU  33  37.898  20.225  28.394
  262    HG   LEU  33           HG       LEU  33  38.488  21.780  25.865
  263   HD11  LEU  33          HD11      LEU  33  35.852  21.781  27.263
  264   HD12  LEU  33          HD12      LEU  33  36.284  22.493  25.707
  265   HD13  LEU  33          HD13      LEU  33  36.231  20.732  25.865
  266   HD21  LEU  33          HD21      LEU  33  37.781  23.783  27.136
  267   HD22  LEU  33          HD22      LEU  33  37.651  22.782  28.595
  268   HD23  LEU  33          HD23      LEU  33  39.236  23.053  27.817
  269    H    HIS  34           H        HIS  34  40.040  17.771  27.222
  270    HA   HIS  34           HA       HIS  34  40.403  16.820  29.951
  271    HB2  HIS  34           HB2      HIS  34  40.356  15.510  27.212
  272    HB3  HIS  34           HB3      HIS  34  40.762  14.625  28.678
  273    HD1  HIS  34           HD1      HIS  34  38.762  13.604  29.959
  274    HD2  HIS  34           HD2      HIS  34  37.702  16.781  27.427
  275    HE1  HIS  34           HE1      HIS  34  36.227  13.685  29.949
  276    H    ALA  35           H        ALA  35  42.615  17.623  27.197
  277    HA   ALA  35           HA       ALA  35  44.876  16.263  28.396
  278    HB1  ALA  35           HB1      ALA  35  46.170  17.478  26.695
  279    HB2  ALA  35           HB2      ALA  35  44.706  16.772  25.989
  280    HB3  ALA  35           HB3      ALA  35  44.775  18.514  26.342
  281    H    ARG  36           H        ARG  36  43.519  19.447  28.819
  282    HA   ARG  36           HA       ARG  36  45.809  20.380  30.461
  283    HB2  ARG  36           HB2      ARG  36  44.753  21.372  28.308
  284    HB3  ARG  36           HB3      ARG  36  43.614  22.133  29.359
  285    HG2  ARG  36           HG2      ARG  36  45.410  23.729  28.924
  286    HG3  ARG  36           HG3      ARG  36  45.370  23.289  30.608
  287    HD2  ARG  36           HD2      ARG  36  47.319  21.681  30.137
  288    HD3  ARG  36           HD3      ARG  36  47.462  22.477  28.581
  289    HE   ARG  36           HE       ARG  36  47.810  23.712  31.303
  290   HH11  ARG  36          HH12      ARG  36  48.314  24.216  27.850
  291   HH12  ARG  36          HH11      ARG  36  49.661  25.305  28.156
  292   HH21  ARG  36          HH22      ARG  36  49.207  25.198  31.586
  293   HH22  ARG  36          HH21      ARG  36  50.051  26.006  30.257
  294    H    THR  37           H        THR  37  43.353  18.942  31.243
  295    HA   THR  37           HA       THR  37  42.548  18.424  33.392
  296    HB   THR  37           HB       THR  37  43.517  20.863  34.710
  297    HG1  THR  37           HG1      THR  37  45.285  18.789  33.911
  298   HG21  THR  37          HG21      THR  37  42.555  19.068  36.088
  299   HG22  THR  37          HG22      THR  37  44.281  19.223  36.449
  300   HG23  THR  37          HG23      THR  37  43.701  17.896  35.416
  301    H    LYS  38           H        LYS  38  40.978  20.097  31.519
  302    HA   LYS  38           HA       LYS  38  39.477  21.908  33.349
  303    HB2  LYS  38           HB2      LYS  38  39.124  21.174  30.433
  304    HB3  LYS  38           HB3      LYS  38  37.859  21.915  31.393
  305    HG2  LYS  38           HG2      LYS  38  39.041  23.655  30.203
  306    HG3  LYS  38           HG3      LYS  38  39.301  23.841  31.912
  307    HD2  LYS  38           HD2      LYS  38  41.490  22.308  30.615
  308    HD3  LYS  38           HD3      LYS  38  41.228  23.895  29.896
  309    HE2  LYS  38           HE2      LYS  38  41.207  24.895  32.227
  310    HE3  LYS  38           HE3      LYS  38  41.667  23.296  32.835
  311    HZ1  LYS  38           HZ1      LYS  38  43.526  24.944  32.502
  312    HZ2  LYS  38           HZ2      LYS  38  43.774  23.492  31.862
  313    HZ3  LYS  38           HZ3      LYS  38  43.354  24.758  30.892
  314    H    ASP  39           H        ASP  39  38.550  20.899  34.903
  315    HA   ASP  39           HA       ASP  39  36.921  18.564  34.702
  316    HB2  ASP  39           HB2      ASP  39  37.144  20.882  36.629
  317    HB3  ASP  39           HB3      ASP  39  35.713  19.865  36.695
  318    H    ILE  40           H        ILE  40  35.558  18.373  33.197
  319    HA   ILE  40           HA       ILE  40  33.987  20.674  32.180
  320    HB   ILE  40           HB       ILE  40  36.135  20.110  31.096
  321   HG12  ILE  40          HG12      ILE  40  33.744  20.833  29.799
  322   HG13  ILE  40          HG13      ILE  40  35.406  21.206  29.400
  323   HG21  ILE  40          HG21      ILE  40  36.064  17.655  31.377
  324   HG22  ILE  40          HG22      ILE  40  34.816  17.542  30.143
  325   HG23  ILE  40          HG23      ILE  40  36.442  18.135  29.733
  326   HD11  ILE  40          HD11      ILE  40  35.594  19.351  27.881
  327   HD12  ILE  40          HD12      ILE  40  33.990  18.721  28.372
  328   HD13  ILE  40          HD13      ILE  40  34.123  20.253  27.500
  329    H    THR  41           H        THR  41  32.078  20.453  31.140
  330    HA   THR  41           HA       THR  41  30.872  17.777  30.627
  331    HB   THR  41           HB       THR  41  29.722  20.043  32.264
  332    HG1  THR  41           HG1      THR  41  29.307  18.452  33.644
  333   HG21  THR  41          HG21      THR  41  27.471  18.991  32.092
  334   HG22  THR  41          HG22      THR  41  28.060  17.990  30.747
  335   HG23  THR  41          HG23      THR  41  27.985  19.763  30.591
  336    H    VAL  42           H        VAL  42  30.137  17.677  28.528
  337    HA   VAL  42           HA       VAL  42  29.590  20.200  27.065
  338    HB   VAL  42           HB       VAL  42  31.435  19.580  26.040
  339   HG11  VAL  42          HG11      VAL  42  32.155  17.878  27.283
  340   HG12  VAL  42          HG12      VAL  42  30.996  16.703  26.564
  341   HG13  VAL  42          HG13      VAL  42  32.332  17.400  25.597
  342   HG21  VAL  42          HG21      VAL  42  29.702  19.548  24.275
  343   HG22  VAL  42          HG22      VAL  42  31.109  18.546  23.897
  344   HG23  VAL  42          HG23      VAL  42  29.613  17.774  24.448
  345    H    HIS  43           H        HIS  43  27.854  20.498  26.033
  346    HA   HIS  43           HA       HIS  43  25.652  18.509  26.134
  347    HB2  HIS  43           HB2      HIS  43  25.867  21.534  25.970
  348    HB3  HIS  43           HB3      HIS  43  24.353  20.695  25.898
  349    HD1  HIS  43           HD1      HIS  43  26.730  22.153  28.295
  350    HD2  HIS  43           HD2      HIS  43  23.717  19.225  28.305
  351    HE1  HIS  43           HE1      HIS  43  26.040  21.815  30.755
  352    H    TYR  44           H        TYR  44  25.079  17.543  24.242
  353    HA   TYR  44           HA       TYR  44  25.700  18.811  21.643
  354    HB2  TYR  44           HB2      TYR  44  24.610  16.088  22.327
  355    HB3  TYR  44           HB3      TYR  44  24.971  16.634  20.695
  356    HD1  TYR  44           HD2      TYR  44  27.699  18.091  21.543
  357    HD2  TYR  44           HD1      TYR  44  26.017  14.160  22.156
  358    HE1  TYR  44           HE2      TYR  44  29.980  17.171  21.847
  359    HE2  TYR  44           HE1      TYR  44  28.298  13.260  22.540
  360    HH   TYR  44           HH       TYR  44  31.269  15.234  22.460
  361    H    VAL  45           H        VAL  45  24.265  20.570  21.614
  362    HA   VAL  45           HA       VAL  45  21.453  20.203  22.148
  363    HB   VAL  45           HB       VAL  45  21.113  22.501  21.524
  364   HG11  VAL  45          HG11      VAL  45  23.656  22.178  23.140
  365   HG12  VAL  45          HG12      VAL  45  22.513  23.542  23.208
  366   HG13  VAL  45          HG13      VAL  45  21.996  21.950  23.769
  367   HG21  VAL  45          HG21      VAL  45  24.050  22.523  20.661
  368   HG22  VAL  45          HG22      VAL  45  22.634  22.742  19.608
  369   HG23  VAL  45          HG23      VAL  45  23.010  23.949  20.837
  370    H    ASP  46           H        ASP  46  22.975  19.112  19.504
  371    HA   ASP  46           HA       ASP  46  20.503  19.239  17.823
  372    HB2  ASP  46           HB2      ASP  46  22.395  20.044  16.644
  373    HB3  ASP  46           HB3      ASP  46  23.396  18.704  17.149
  374    H    LYS  47           H        LYS  47  22.189  17.208  20.035
  375    HA   LYS  47           HA       LYS  47  20.663  14.774  19.217
  376    HB2  LYS  47           HB2      LYS  47  22.584  15.346  21.522
  377    HB3  LYS  47           HB3      LYS  47  21.635  13.884  21.404
  378    HG2  LYS  47           HG2      LYS  47  23.732  14.746  19.370
  379    HG3  LYS  47           HG3      LYS  47  23.934  13.546  20.657
  380    HD2  LYS  47           HD2      LYS  47  21.869  12.352  19.609
  381    HD3  LYS  47           HD3      LYS  47  22.171  13.393  18.201
  382    HE2  LYS  47           HE2      LYS  47  24.525  12.504  18.142
  383    HE3  LYS  47           HE3      LYS  47  24.108  11.415  19.469
  384    HZ1  LYS  47           HZ1      LYS  47  23.828  10.239  17.404
  385    HZ2  LYS  47           HZ2      LYS  47  22.356  10.461  18.065
  386    HZ3  LYS  47           HZ3      LYS  47  22.795  11.381  16.794
  387    H    MET  48           H        MET  48  20.885  17.077  21.921
  388    HA   MET  48           HA       MET  48  18.668  16.113  23.440
  389    HB2  MET  48           HB2      MET  48  19.884  18.903  23.262
  390    HB3  MET  48           HB3      MET  48  18.789  18.358  24.530
  391    HG2  MET  48           HG2      MET  48  20.422  16.811  25.397
  392    HG3  MET  48           HG3      MET  48  21.463  17.019  23.992
  393    HE1  MET  48           HE1      MET  48  20.313  18.455  27.422
  394    HE2  MET  48           HE2      MET  48  20.952  20.111  27.407
  395    HE3  MET  48           HE3      MET  48  19.592  19.678  26.351
  396    H    SER  49           H        SER  49  16.482  16.261  23.045
  397    HA   SER  49           HA       SER  49  15.398  17.543  20.725
  398    HB2  SER  49           HB2      SER  49  13.994  16.754  23.299
  399    HB3  SER  49           HB3      SER  49  13.189  17.193  21.783
  400    HG   SER  49           HG       SER  49  14.278  14.835  22.542
  401    H    GLU  50           H        GLU  50  15.628  18.730  24.110
  402    HA   GLU  50           HA       GLU  50  14.240  21.189  23.471
  403    HB2  GLU  50           HB2      GLU  50  14.708  19.968  25.866
  404    HB3  GLU  50           HB3      GLU  50  15.984  21.214  25.881
  405    HG2  GLU  50           HG2      GLU  50  14.152  22.866  25.151
  406    HG3  GLU  50           HG3      GLU  50  12.985  21.594  25.499
  407    H    GLY  51           H        GLY  51  17.362  20.242  22.646
  408    HA2  GLY  51           HA2      GLY  51  19.122  22.269  23.284
  409    HA3  GLY  51           HA3      GLY  51  19.143  21.315  21.805
  410    H    GLU  52           H        GLU  52  16.546  22.534  20.839
  411    HA   GLU  52           HA       GLU  52  17.533  24.845  19.445
  412    HB2  GLU  52           HB2      GLU  52  14.656  24.062  20.060
  413    HB3  GLU  52           HB3      GLU  52  15.197  25.203  18.822
  414    HG2  GLU  52           HG2      GLU  52  16.362  23.380  17.625
  415    HG3  GLU  52           HG3      GLU  52  15.813  22.222  18.846
  416    H    GLN  53           H        GLN  53  15.776  24.550  22.563
  417    HA   GLN  53           HA       GLN  53  15.299  27.409  22.851
  418    HB2  GLN  53           HB2      GLN  53  13.895  25.573  23.800
  419    HB3  GLN  53           HB3      GLN  53  15.177  25.189  24.940
  420    HG2  GLN  53           HG2      GLN  53  14.085  28.022  24.797
  421    HG3  GLN  53           HG3      GLN  53  13.124  26.767  25.548
  422   HE21  GLN  53          HE21      GLN  53  14.358  25.385  27.344
  423   HE22  GLN  53          HE22      GLN  53  15.255  26.426  28.427
  424    H    LEU  54           H        LEU  54  17.696  25.101  24.138
  425    HA   LEU  54           HA       LEU  54  19.158  27.010  25.731
  426    HB2  LEU  54           HB2      LEU  54  20.222  24.455  24.443
  427    HB3  LEU  54           HB3      LEU  54  20.953  25.369  25.738
  428    HG   LEU  54           HG       LEU  54  20.112  23.844  27.097
  429   HD11  LEU  54          HD11      LEU  54  17.313  24.871  26.579
  430   HD12  LEU  54          HD12      LEU  54  17.970  24.132  28.047
  431   HD13  LEU  54          HD13      LEU  54  18.502  25.750  27.565
  432   HD21  LEU  54          HD21      LEU  54  18.387  22.232  26.602
  433   HD22  LEU  54          HD22      LEU  54  18.061  23.067  25.075
  434   HD23  LEU  54          HD23      LEU  54  19.653  22.299  25.371
  435    H    ARG  55           H        ARG  55  19.555  25.886  22.354
  436    HA   ARG  55           HA       ARG  55  21.814  27.451  21.584
  437    HB2  ARG  55           HB2      ARG  55  21.117  25.558  20.335
  438    HB3  ARG  55           HB3      ARG  55  19.436  26.102  20.287
  439    HG2  ARG  55           HG2      ARG  55  19.812  27.726  18.702
  440    HG3  ARG  55           HG3      ARG  55  21.590  27.508  18.727
  441    HD2  ARG  55           HD2      ARG  55  21.384  25.234  17.898
  442    HD3  ARG  55           HD3      ARG  55  19.630  25.239  18.126
  443    HE   ARG  55           HE       ARG  55  20.080  27.278  16.284
  444   HH11  ARG  55          HH22      ARG  55  20.382  23.765  16.389
  445   HH12  ARG  55          HH21      ARG  55  20.017  23.632  14.686
  446   HH21  ARG  55          HH12      ARG  55  20.081  27.024  14.124
  447   HH22  ARG  55          HH11      ARG  55  20.071  25.418  13.409
  448    H    GLY  56           H        GLY  56  18.305  28.207  21.616
  449    HA2  GLY  56           HA2      GLY  56  18.432  30.816  20.503
  450    HA3  GLY  56           HA3      GLY  56  17.234  30.241  21.669
  451    H    GLU  57           H        GLU  57  19.103  29.792  23.942
  452    HA   GLU  57           HA       GLU  57  19.348  32.544  24.844
  453    HB2  GLU  57           HB2      GLU  57  20.312  29.931  26.037
  454    HB3  GLU  57           HB3      GLU  57  20.584  31.504  26.774
  455    HG2  GLU  57           HG2      GLU  57  17.930  30.095  26.354
  456    HG3  GLU  57           HG3      GLU  57  18.711  30.586  27.839
  457    H    ILE  58           H        ILE  58  21.746  30.283  23.465
  458    HA   ILE  58           HA       ILE  58  23.946  32.167  23.795
  459    HB   ILE  58           HB       ILE  58  23.700  29.961  21.713
  460   HG12  ILE  58          HG12      ILE  58  25.032  29.756  24.456
  461   HG13  ILE  58          HG13      ILE  58  23.433  29.097  24.084
  462   HG21  ILE  58          HG21      ILE  58  26.161  31.327  22.923
  463   HG22  ILE  58          HG22      ILE  58  26.163  30.084  21.650
  464   HG23  ILE  58          HG23      ILE  58  25.503  31.670  21.314
  465   HD11  ILE  58          HD11      ILE  58  24.965  27.299  23.950
  466   HD12  ILE  58          HD12      ILE  58  24.454  27.674  22.294
  467   HD13  ILE  58          HD13      ILE  58  26.059  28.186  22.877
  468    H    TYR  59           H        TYR  59  21.687  31.418  21.085
  469    HA   TYR  59           HA       TYR  59  22.935  33.127  19.256
  470    HB2  TYR  59           HB2      TYR  59  21.090  31.279  18.949
  471    HB3  TYR  59           HB3      TYR  59  19.965  32.627  19.067
  472    HD1  TYR  59           HD2      TYR  59  20.175  34.531  17.350
  473    HD2  TYR  59           HD1      TYR  59  22.527  30.944  17.138
  474    HE1  TYR  59           HE2      TYR  59  20.782  35.060  14.965
  475    HE2  TYR  59           HE1      TYR  59  23.187  31.490  14.808
  476    HH   TYR  59           HH       TYR  59  23.119  33.005  13.151
  477    H    GLN  60           H        GLN  60  20.235  33.925  21.484
  478    HA   GLN  60           HA       GLN  60  19.659  36.490  20.471
  479    HB2  GLN  60           HB2      GLN  60  19.579  35.288  23.274
  480    HB3  GLN  60           HB3      GLN  60  19.043  36.943  22.987
  481    HG2  GLN  60           HG2      GLN  60  17.225  36.257  21.607
  482    HG3  GLN  60           HG3      GLN  60  17.838  34.607  21.476
  483   HE21  GLN  60          HE21      GLN  60  17.863  33.284  23.422
  484   HE22  GLN  60          HE22      GLN  60  16.751  33.615  24.766
  485    H    ALA  61           H        ALA  61  22.207  35.516  22.787
  486    HA   ALA  61           HA       ALA  61  23.078  38.270  23.266
  487    HB1  ALA  61           HB1      ALA  61  22.967  36.678  25.093
  488    HB2  ALA  61           HB2      ALA  61  24.068  35.570  24.255
  489    HB3  ALA  61           HB3      ALA  61  24.657  37.149  24.824
  490    H    TYR  62           H        TYR  62  24.449  35.454  21.524
  491    HA   TYR  62           HA       TYR  62  26.855  37.084  20.802
  492    HB2  TYR  62           HB2      TYR  62  26.542  34.071  20.982
  493    HB3  TYR  62           HB3      TYR  62  28.027  34.947  20.651
  494    HD1  TYR  62           HD2      TYR  62  29.192  36.239  22.450
  495    HD2  TYR  62           HD1      TYR  62  25.685  33.864  23.246
  496    HE1  TYR  62           HE2      TYR  62  29.615  36.404  24.912
  497    HE2  TYR  62           HE1      TYR  62  26.081  34.073  25.680
  498    HH   TYR  62           HH       TYR  62  27.239  35.232  27.281
  499    H    LYS  63           H        LYS  63  24.067  35.945  19.329
  500    HA   LYS  63           HA       LYS  63  23.406  35.315  17.279
  501    HB2  LYS  63           HB2      LYS  63  25.395  37.477  16.512
  502    HB3  LYS  63           HB3      LYS  63  24.149  36.845  15.432
  503    HG2  LYS  63           HG2      LYS  63  23.517  38.138  18.123
  504    HG3  LYS  63           HG3      LYS  63  23.564  39.007  16.589
  505    HD2  LYS  63           HD2      LYS  63  21.779  37.679  15.665
  506    HD3  LYS  63           HD3      LYS  63  21.743  36.603  17.072
  507    HE2  LYS  63           HE2      LYS  63  21.101  38.446  18.546
  508    HE3  LYS  63           HE3      LYS  63  21.193  39.579  17.195
  509    HZ1  LYS  63           HZ1      LYS  63  18.941  38.881  17.634
  510    HZ2  LYS  63           HZ2      LYS  63  19.385  38.322  16.120
  511    HZ3  LYS  63           HZ3      LYS  63  19.274  37.314  17.409
  512    H    HIS  64           H        HIS  64  25.171  33.562  18.267
  513    HA   HIS  64           HA       HIS  64  25.918  32.092  15.819
  514    HB2  HIS  64           HB2      HIS  64  27.693  32.516  18.268
  515    HB3  HIS  64           HB3      HIS  64  27.888  31.158  17.168
  516    HD1  HIS  64           HD1      HIS  64  28.134  35.039  17.005
  517    HD2  HIS  64           HD2      HIS  64  29.293  31.510  15.021
  518    HE1  HIS  64           HE1      HIS  64  29.767  35.741  15.164
  519    H    GLU  65           H        GLU  65  25.351  29.951  15.979
  520    HA   GLU  65           HA       GLU  65  23.932  29.027  18.432
  521    HB2  GLU  65           HB2      GLU  65  23.113  27.223  17.007
  522    HB3  GLU  65           HB3      GLU  65  22.644  28.808  16.421
  523    HG2  GLU  65           HG2      GLU  65  25.025  27.301  15.281
  524    HG3  GLU  65           HG3      GLU  65  23.376  26.998  14.759
  525    H    THR  66           H        THR  66  26.831  28.367  16.604
  526    HA   THR  66           HA       THR  66  27.912  26.726  18.780
  527    HB   THR  66           HB       THR  66  28.874  25.124  16.997
  528    HG1  THR  66           HG1      THR  66  26.505  25.178  15.678
  529   HG21  THR  66          HG21      THR  66  25.942  24.769  17.678
  530   HG22  THR  66          HG22      THR  66  27.286  24.465  18.795
  531   HG23  THR  66          HG23      THR  66  27.152  23.513  17.317
  532    H    VAL  67           H        VAL  67  30.162  26.585  18.710
  533    HA   VAL  67           HA       VAL  67  31.669  27.960  16.658
  534    HB   VAL  67           HB       VAL  67  32.782  28.930  19.156
  535   HG11  VAL  67          HG11      VAL  67  31.816  30.356  16.662
  536   HG12  VAL  67          HG12      VAL  67  32.909  31.007  17.905
  537   HG13  VAL  67          HG13      VAL  67  33.430  29.648  16.899
  538   HG21  VAL  67          HG21      VAL  67  30.069  30.114  18.473
  539   HG22  VAL  67          HG22      VAL  67  30.452  29.188  19.949
  540   HG23  VAL  67          HG23      VAL  67  31.244  30.735  19.645
  541    HA   PRO  68           HA       PRO  68  30.656  25.492  19.686
  542    HB2  PRO  68           HB2      PRO  68  31.836  24.189  21.739
  543    HB3  PRO  68           HB3      PRO  68  31.483  23.428  20.159
  544    HG2  PRO  68           HG2      PRO  68  34.109  24.664  21.068
  545    HG3  PRO  68           HG3      PRO  68  33.838  23.022  20.392
  546    HD2  PRO  68           HD2      PRO  68  34.620  25.029  18.792
  547    HD3  PRO  68           HD3      PRO  68  33.364  23.900  18.227
  548    H    ALA  69           H        ALA  69  30.021  26.130  21.891
  549    HA   ALA  69           HA       ALA  69  31.388  28.639  22.777
  550    HB1  ALA  69           HB1      ALA  69  28.576  27.606  23.342
  551    HB2  ALA  69           HB2      ALA  69  29.258  29.132  23.923
  552    HB3  ALA  69           HB3      ALA  69  29.010  28.883  22.185
  553    H    ILE  70           H        ILE  70  32.286  28.812  24.802
  554    HA   ILE  70           HA       ILE  70  32.121  26.481  26.659
  555    HB   ILE  70           HB       ILE  70  34.623  28.062  25.983
  556   HG12  ILE  70          HG12      ILE  70  35.266  25.521  25.178
  557   HG13  ILE  70          HG13      ILE  70  33.582  25.589  24.682
  558   HG21  ILE  70          HG21      ILE  70  34.223  25.593  27.710
  559   HG22  ILE  70          HG22      ILE  70  35.800  26.280  27.259
  560   HG23  ILE  70          HG23      ILE  70  34.691  27.217  28.249
  561   HD11  ILE  70          HD11      ILE  70  35.055  26.318  22.862
  562   HD12  ILE  70          HD12      ILE  70  34.109  27.713  23.412
  563   HD13  ILE  70          HD13      ILE  70  35.803  27.543  23.905
  564    H    PHE  71           H        PHE  71  31.880  26.952  28.742
  565    HA   PHE  71           HA       PHE  71  32.293  29.754  29.649
  566    HB2  PHE  71           HB2      PHE  71  30.078  27.852  30.429
  567    HB3  PHE  71           HB3      PHE  71  30.369  29.430  31.166
  568    HD1  PHE  71           HD1      PHE  71  30.007  31.535  29.816
  569    HD2  PHE  71           HD2      PHE  71  28.992  27.633  28.287
  570    HE1  PHE  71           HE1      PHE  71  28.603  32.590  28.046
  571    HE2  PHE  71           HE2      PHE  71  27.584  28.702  26.530
  572    HZ   PHE  71           HZ       PHE  71  27.388  31.147  26.408
  573    H    ILE  72           H        ILE  72  33.306  30.039  31.598
  574    HA   ILE  72           HA       ILE  72  34.028  27.645  33.221
  575    HB   ILE  72           HB       ILE  72  36.016  29.806  32.429
  576   HG12  ILE  72          HG12      ILE  72  35.704  26.915  31.516
  577   HG13  ILE  72          HG13      ILE  72  35.557  28.348  30.525
  578   HG21  ILE  72          HG21      ILE  72  36.406  28.949  34.705
  579   HG22  ILE  72          HG22      ILE  72  36.254  27.273  34.141
  580   HG23  ILE  72          HG23      ILE  72  37.626  28.281  33.645
  581   HD11  ILE  72          HD11      ILE  72  37.647  27.340  30.014
  582   HD12  ILE  72          HD12      ILE  72  37.994  28.828  30.912
  583   HD13  ILE  72          HD13      ILE  72  38.119  27.240  31.714
  584    H    ASN  73           H        ASN  73  33.294  27.928  35.214
  585    HA   ASN  73           HA       ASN  73  32.195  28.908  36.954
  586    HB2  ASN  73           HB2      ASN  73  34.852  30.359  36.910
  587    HB3  ASN  73           HB3      ASN  73  33.694  30.632  38.193
  588   HD21  ASN  73          HD21      ASN  73  36.426  29.250  38.028
  589   HD22  ASN  73          HD22      ASN  73  36.133  27.863  39.072
  590    H    GLY  74           H        GLY  74  31.140  29.817  34.589
  591    HA2  GLY  74           HA2      GLY  74  29.438  31.278  34.015
  592    HA3  GLY  74           HA3      GLY  74  29.768  32.264  35.405
  593    H    ASN  75           H        ASN  75  32.655  31.952  33.583
  594    HA   ASN  75           HA       ASN  75  32.226  34.515  32.106
  595    HB2  ASN  75           HB2      ASN  75  34.757  32.992  32.837
  596    HB3  ASN  75           HB3      ASN  75  34.715  34.541  32.015
  597   HD21  ASN  75          HD21      ASN  75  36.127  34.106  34.400
  598   HD22  ASN  75          HD22      ASN  75  35.336  34.939  35.719
  599    H    PHE  76           H        PHE  76  32.976  34.669  29.833
  600    HA   PHE  76           HA       PHE  76  32.320  32.154  28.372
  601    HB2  PHE  76           HB2      PHE  76  30.743  33.935  28.047
  602    HB3  PHE  76           HB3      PHE  76  32.022  35.089  27.711
  603    HD1  PHE  76           HD1      PHE  76  30.720  31.792  26.386
  604    HD2  PHE  76           HD2      PHE  76  32.521  35.607  25.479
  605    HE1  PHE  76           HE1      PHE  76  30.568  31.295  23.963
  606    HE2  PHE  76           HE2      PHE  76  32.385  35.088  23.056
  607    HZ   PHE  76           HZ       PHE  76  31.397  32.947  22.295
  608    H    ILE  77           H        ILE  77  33.454  31.271  26.792
  609    HA   ILE  77           HA       ILE  77  35.632  32.673  25.376
  610    HB   ILE  77           HB       ILE  77  35.891  29.767  26.230
  611   HG12  ILE  77          HG12      ILE  77  37.949  30.718  27.542
  612   HG13  ILE  77          HG13      ILE  77  37.023  32.212  27.607
  613   HG21  ILE  77          HG21      ILE  77  37.030  30.366  24.118
  614   HG22  ILE  77          HG22      ILE  77  37.891  31.672  24.958
  615   HG23  ILE  77          HG23      ILE  77  38.174  29.969  25.381
  616   HD11  ILE  77          HD11      ILE  77  35.222  30.951  28.848
  617   HD12  ILE  77          HD12      ILE  77  36.143  29.456  28.602
  618   HD13  ILE  77          HD13      ILE  77  36.794  30.753  29.622
  619    H    GLY  78           H        GLY  78  35.567  32.189  23.060
  620    HA2  GLY  78           HA2      GLY  78  33.828  29.907  22.255
  621    HA3  GLY  78           HA3      GLY  78  33.357  31.492  21.679
  622    H    GLY  79           H        GLY  79  34.812  28.766  20.854
  623    HA2  GLY  79           HA2      GLY  79  35.468  28.550  18.471
  624    HA3  GLY  79           HA3      GLY  79  36.525  29.942  18.694
  625    H    CYS  80           H        CYS  80  37.034  27.012  17.968
  626    HA   CYS  80           HA       CYS  80  38.538  25.849  20.152
  627    HB2  CYS  80           HB2      CYS  80  38.303  25.296  17.175
  628    HB3  CYS  80           HB3      CYS  80  39.402  24.383  18.227
  629    HG   CYS  80           HG       CYS  80  37.374  22.886  18.229
  630    H    SER  81           H        SER  81  39.487  28.005  17.479
  631    HA   SER  81           HA       SER  81  42.310  27.958  18.169
  632    HB2  SER  81           HB2      SER  81  40.730  29.994  16.563
  633    HB3  SER  81           HB3      SER  81  42.499  29.833  16.638
  634    HG   SER  81           HG       SER  81  41.858  28.672  14.847
  635    H    ASP  82           H        ASP  82  39.507  29.851  19.235
  636    HA   ASP  82           HA       ASP  82  40.895  31.837  20.778
  637    HB2  ASP  82           HB2      ASP  82  38.363  31.533  19.997
  638    HB3  ASP  82           HB3      ASP  82  38.181  30.699  21.519
  639    H    LEU  83           H        LEU  83  39.616  28.640  21.525
  640    HA   LEU  83           HA       LEU  83  40.244  28.537  24.300
  641    HB2  LEU  83           HB2      LEU  83  38.580  27.109  23.174
  642    HB3  LEU  83           HB3      LEU  83  39.836  26.379  22.189
  643    HG   LEU  83           HG       LEU  83  40.870  25.388  24.182
  644   HD11  LEU  83          HD11      LEU  83  38.445  26.501  25.664
  645   HD12  LEU  83          HD12      LEU  83  39.597  25.313  26.319
  646   HD13  LEU  83          HD13      LEU  83  40.145  26.948  25.940
  647   HD21  LEU  83          HD21      LEU  83  39.161  23.675  24.559
  648   HD22  LEU  83          HD22      LEU  83  37.907  24.756  23.897
  649   HD23  LEU  83          HD23      LEU  83  39.211  24.148  22.853
  650    H    GLU  84           H        GLU  84  42.094  27.209  21.473
  651    HA   GLU  84           HA       GLU  84  44.315  26.357  23.122
  652    HB2  GLU  84           HB2      GLU  84  44.102  26.866  20.138
  653    HB3  GLU  84           HB3      GLU  84  45.605  26.364  20.949
  654    HG2  GLU  84           HG2      GLU  84  44.509  24.369  21.850
  655    HG3  GLU  84           HG3      GLU  84  43.004  24.820  21.056
  656    H    ALA  85           H        ALA  85  43.545  29.522  21.643
  657    HA   ALA  85           HA       ALA  85  46.140  30.646  22.084
  658    HB1  ALA  85           HB1      ALA  85  44.858  32.837  22.050
  659    HB2  ALA  85           HB2      ALA  85  44.479  31.770  20.688
  660    HB3  ALA  85           HB3      ALA  85  43.345  31.901  22.036
  661    H    LEU  86           H        LEU  86  43.346  30.312  24.315
  662    HA   LEU  86           HA       LEU  86  44.641  31.626  26.544
  663    HB2  LEU  86           HB2      LEU  86  42.329  29.659  26.414
  664    HB3  LEU  86           HB3      LEU  86  42.835  30.505  27.874
  665    HG   LEU  86           HG       LEU  86  41.841  31.893  25.356
  666   HD11  LEU  86          HD11      LEU  86  39.806  32.293  26.640
  667   HD12  LEU  86          HD12      LEU  86  40.116  30.553  26.502
  668   HD13  LEU  86          HD13      LEU  86  40.467  31.399  28.029
  669   HD21  LEU  86          HD21      LEU  86  42.389  32.963  28.156
  670   HD22  LEU  86          HD22      LEU  86  43.317  33.363  26.676
  671   HD23  LEU  86          HD23      LEU  86  41.635  33.869  26.825
  672    H    ASP  87           H        ASP  87  44.722  28.291  25.366
  673    HA   ASP  87           HA       ASP  87  46.145  27.152  27.631
  674    HB2  ASP  87           HB2      ASP  87  45.002  25.765  25.988
  675    HB3  ASP  87           HB3      ASP  87  46.026  26.352  24.698
  676    H    LYS  88           H        LYS  88  47.293  28.488  24.498
  677    HA   LYS  88           HA       LYS  88  50.094  28.361  25.145
  678    HB2  LYS  88           HB2      LYS  88  48.507  29.903  23.070
  679    HB3  LYS  88           HB3      LYS  88  50.223  30.201  23.314
  680    HG2  LYS  88           HG2      LYS  88  50.148  28.669  21.563
  681    HG3  LYS  88           HG3      LYS  88  50.688  27.757  22.965
  682    HD2  LYS  88           HD2      LYS  88  48.316  26.848  23.203
  683    HD3  LYS  88           HD3      LYS  88  47.895  27.796  21.761
  684    HE2  LYS  88           HE2      LYS  88  48.247  25.715  20.867
  685    HE3  LYS  88           HE3      LYS  88  49.761  26.562  20.555
  686    HZ1  LYS  88           HZ1      LYS  88  50.546  25.421  22.732
  687    HZ2  LYS  88           HZ2      LYS  88  49.238  24.437  22.556
  688    HZ3  LYS  88           HZ3      LYS  88  50.383  24.446  21.422
  689    H    GLU  89           H        GLU  89  47.797  31.041  25.668
  690    HA   GLU  89           HA       GLU  89  49.850  32.752  26.862
  691    HB2  GLU  89           HB2      GLU  89  46.815  32.914  26.845
  692    HB3  GLU  89           HB3      GLU  89  47.864  34.160  27.506
  693    HG2  GLU  89           HG2      GLU  89  47.988  33.288  24.592
  694    HG3  GLU  89           HG3      GLU  89  46.965  34.583  25.171
  695    H    GLY  90           H        GLY  90  48.549  29.955  28.112
  696    HA2  GLY  90           HA2      GLY  90  48.759  29.045  30.208
  697    HA3  GLY  90           HA3      GLY  90  49.545  30.535  30.746
  698    H    LYS  91           H        LYS  91  46.535  31.307  29.438
  699    HA   LYS  91           HA       LYS  91  45.501  32.142  32.076
  700    HB2  LYS  91           HB2      LYS  91  44.901  32.643  29.133
  701    HB3  LYS  91           HB3      LYS  91  43.704  33.068  30.347
  702    HG2  LYS  91           HG2      LYS  91  45.083  34.656  31.394
  703    HG3  LYS  91           HG3      LYS  91  46.550  34.043  30.623
  704    HD2  LYS  91           HD2      LYS  91  45.858  36.199  29.684
  705    HD3  LYS  91           HD3      LYS  91  45.898  34.912  28.488
  706    HE2  LYS  91           HE2      LYS  91  44.021  36.249  27.990
  707    HE3  LYS  91           HE3      LYS  91  43.410  34.721  28.623
  708    HZ1  LYS  91           HZ1      LYS  91  42.254  36.657  29.531
  709    HZ2  LYS  91           HZ2      LYS  91  42.932  35.800  30.711
  710    HZ3  LYS  91           HZ3      LYS  91  43.634  37.228  30.208
  711    H    LEU  92           H        LEU  92  44.898  29.565  29.803
  712    HA   LEU  92           HA       LEU  92  42.293  28.871  30.928
  713    HB2  LEU  92           HB2      LEU  92  43.346  28.335  28.583
  714    HB3  LEU  92           HB3      LEU  92  44.257  27.088  29.409
  715    HG   LEU  92           HG       LEU  92  42.064  26.069  30.119
  716   HD11  LEU  92          HD11      LEU  92  40.022  26.710  28.840
  717   HD12  LEU  92          HD12      LEU  92  40.550  27.997  29.927
  718   HD13  LEU  92          HD13      LEU  92  40.889  28.112  28.187
  719   HD21  LEU  92          HD21      LEU  92  43.327  25.251  28.149
  720   HD22  LEU  92          HD22      LEU  92  41.579  25.125  27.868
  721   HD23  LEU  92          HD23      LEU  92  42.505  26.440  27.126
  722    H    ASP  93           H        ASP  93  45.616  28.049  31.769
  723    HA   ASP  93           HA       ASP  93  44.714  26.301  33.971
  724    HB2  ASP  93           HB2      ASP  93  47.386  27.357  33.045
  725    HB3  ASP  93           HB3      ASP  93  47.173  26.675  34.645
  726    H    GLY  94           H        GLY  94  45.615  29.733  33.499
  727    HA2  GLY  94           HA2      GLY  94  45.504  30.478  36.238
  728    HA3  GLY  94           HA3      GLY  94  45.231  31.553  34.859
  729    H    LEU  95           H        LEU  95  42.895  30.000  33.902
  730    HA   LEU  95           HA       LEU  95  40.773  30.884  35.680
  731    HB2  LEU  95           HB2      LEU  95  40.911  29.459  33.008
  732    HB3  LEU  95           HB3      LEU  95  39.383  29.664  33.857
  733    HG   LEU  95           HG       LEU  95  41.163  32.027  33.141
  734   HD11  LEU  95          HD11      LEU  95  40.432  30.829  31.096
  735   HD12  LEU  95          HD12      LEU  95  38.738  30.931  31.650
  736   HD13  LEU  95          HD13      LEU  95  39.649  32.405  31.256
  737   HD21  LEU  95          HD21      LEU  95  39.532  32.514  34.925
  738   HD22  LEU  95          HD22      LEU  95  39.059  33.307  33.425
  739   HD23  LEU  95          HD23      LEU  95  38.222  31.823  33.941
  740    H    LEU  96           H        LEU  96  42.380  27.765  35.189
  741    HA   LEU  96           HA       LEU  96  40.531  26.266  36.925
  742    HB2  LEU  96           HB2      LEU  96  43.515  25.818  36.459
  743    HB3  LEU  96           HB3      LEU  96  42.467  24.704  37.309
  744    HG   LEU  96           HG       LEU  96  42.317  25.331  34.379
  745   HD11  LEU  96          HD11      LEU  96  42.962  22.846  36.024
  746   HD12  LEU  96          HD12      LEU  96  42.926  22.917  34.266
  747   HD13  LEU  96          HD13      LEU  96  44.142  23.844  35.150
  748   HD21  LEU  96          HD21      LEU  96  40.029  25.039  35.071
  749   HD22  LEU  96          HD22      LEU  96  40.550  23.461  34.462
  750   HD23  LEU  96          HD23      LEU  96  40.470  23.738  36.197
  751    H    SER  97           H        SER  97  40.736  25.794  39.106
  752    HA   SER  97           HA       SER  97  42.478  27.223  40.936
  753    HB2  SER  97           HB2      SER  97  39.613  28.179  40.556
  754    HB3  SER  97           HB3      SER  97  40.500  28.417  42.075
  755    HG   SER  97           HG       SER  97  41.687  29.064  39.609
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  13.014  36.315  41.765
    2    H2   GLY   1           H2       GLY   1  12.475  36.430  40.217
    3    H3   GLY   1           H3       GLY   1  14.038  36.803  40.574
    4    HA2  GLY   1           HA2      GLY   1  14.509  34.530  41.178
    5    HA3  GLY   1           HA3      GLY   1  12.814  34.136  40.805
    6    H    ALA   2           H        ALA   2  15.207  32.995  39.563
    7    HA   ALA   2           HA       ALA   2  15.421  34.306  36.922
    8    HB1  ALA   2           HB1      ALA   2  17.388  32.883  36.657
    9    HB2  ALA   2           HB2      ALA   2  17.460  33.770  38.191
   10    HB3  ALA   2           HB3      ALA   2  17.020  32.047  38.180
   11    H    MET   3           H        MET   3  14.994  33.335  34.961
   12    HA   MET   3           HA       MET   3  13.195  31.030  34.874
   13    HB2  MET   3           HB2      MET   3  14.620  32.515  32.635
   14    HB3  MET   3           HB3      MET   3  13.405  31.251  32.413
   15    HG2  MET   3           HG2      MET   3  12.972  33.949  33.743
   16    HG3  MET   3           HG3      MET   3  12.422  33.458  32.143
   17    HE1  MET   3           HE1      MET   3   8.990  33.772  33.840
   18    HE2  MET   3           HE2      MET   3  10.404  34.848  33.941
   19    HE3  MET   3           HE3      MET   3   9.967  34.089  32.392
   20    HA   PRO   4           HA       PRO   4  16.343  28.163  35.315
   21    HB2  PRO   4           HB2      PRO   4  15.148  25.780  34.783
   22    HB3  PRO   4           HB3      PRO   4  14.565  26.890  36.051
   23    HG2  PRO   4           HG2      PRO   4  13.556  26.686  33.186
   24    HG3  PRO   4           HG3      PRO   4  12.594  26.587  34.699
   25    HD2  PRO   4           HD2      PRO   4  12.850  28.932  33.353
   26    HD3  PRO   4           HD3      PRO   4  12.869  28.885  35.142
   27    H    SER   5           H        SER   5  16.406  29.322  32.430
   28    HA   SER   5           HA       SER   5  17.597  27.171  30.863
   29    HB2  SER   5           HB2      SER   5  18.162  29.112  29.297
   30    HB3  SER   5           HB3      SER   5  16.474  28.751  29.515
   31    HG   SER   5           HG       SER   5  18.000  30.845  30.633
   32    H    ILE   6           H        ILE   6  19.663  27.999  29.670
   33    HA   ILE   6           HA       ILE   6  21.273  26.442  31.100
   34    HB   ILE   6           HB       ILE   6  22.872  26.563  29.439
   35   HG12  ILE   6          HG12      ILE   6  21.864  29.301  28.729
   36   HG13  ILE   6          HG13      ILE   6  23.487  28.862  29.234
   37   HG21  ILE   6          HG21      ILE   6  20.603  25.701  28.948
   38   HG22  ILE   6          HG22      ILE   6  20.278  27.220  28.058
   39   HG23  ILE   6          HG23      ILE   6  21.592  26.137  27.548
   40   HD11  ILE   6          HD11      ILE   6  22.184  28.105  26.584
   41   HD12  ILE   6          HD12      ILE   6  23.385  29.382  26.837
   42   HD13  ILE   6          HD13      ILE   6  23.827  27.684  27.077
   43    H    ALA   7           H        ALA   7  21.376  29.869  31.379
   44    HA   ALA   7           HA       ALA   7  23.931  30.465  32.348
   45    HB1  ALA   7           HB1      ALA   7  22.702  32.275  33.591
   46    HB2  ALA   7           HB2      ALA   7  22.198  32.115  31.893
   47    HB3  ALA   7           HB3      ALA   7  21.177  31.455  33.180
   48    H    SER   8           H        SER   8  21.250  28.848  34.150
   49    HA   SER   8           HA       SER   8  22.689  28.750  36.680
   50    HB2  SER   8           HB2      SER   8  20.259  27.272  35.634
   51    HB3  SER   8           HB3      SER   8  20.961  26.997  37.245
   52    HG   SER   8           HG       SER   8  19.641  28.586  37.696
   53    H    MET   9           H        MET   9  22.614  26.596  33.857
   54    HA   MET   9           HA       MET   9  23.932  24.340  35.086
   55    HB2  MET   9           HB2      MET   9  24.091  25.156  32.161
   56    HB3  MET   9           HB3      MET   9  24.325  23.559  32.850
   57    HG2  MET   9           HG2      MET   9  21.955  23.427  33.460
   58    HG3  MET   9           HG3      MET   9  21.688  25.070  32.874
   59    HE1  MET   9           HE1      MET   9  19.740  22.998  30.249
   60    HE2  MET   9           HE2      MET   9  19.914  22.611  31.974
   61    HE3  MET   9           HE3      MET   9  19.678  24.298  31.462
   62    H    ILE  10           H        ILE  10  25.117  27.320  33.515
   63    HA   ILE  10           HA       ILE  10  27.898  26.611  33.492
   64    HB   ILE  10           HB       ILE  10  26.956  29.475  33.797
   65   HG12  ILE  10          HG12      ILE  10  25.446  28.701  32.122
   66   HG13  ILE  10          HG13      ILE  10  26.675  29.667  31.360
   67   HG21  ILE  10          HG21      ILE  10  29.267  28.122  32.359
   68   HG22  ILE  10          HG22      ILE  10  28.839  29.836  32.154
   69   HG23  ILE  10          HG23      ILE  10  29.310  29.232  33.742
   70   HD11  ILE  10          HD11      ILE  10  27.798  27.609  30.516
   71   HD12  ILE  10          HD12      ILE  10  26.536  26.615  31.276
   72   HD13  ILE  10          HD13      ILE  10  26.118  27.737  29.973
   73    H    LYS  11           H        LYS  11  25.815  27.648  36.070
   74    HA   LYS  11           HA       LYS  11  27.990  28.209  37.981
   75    HB2  LYS  11           HB2      LYS  11  25.008  28.085  38.364
   76    HB3  LYS  11           HB3      LYS  11  26.214  28.638  39.529
   77    HG2  LYS  11           HG2      LYS  11  26.894  30.482  38.022
   78    HG3  LYS  11           HG3      LYS  11  25.685  29.960  36.823
   79    HD2  LYS  11           HD2      LYS  11  23.918  30.144  38.514
   80    HD3  LYS  11           HD3      LYS  11  25.128  30.707  39.694
   81    HE2  LYS  11           HE2      LYS  11  25.486  32.754  38.497
   82    HE3  LYS  11           HE3      LYS  11  24.574  32.179  37.089
   83    HZ1  LYS  11           HZ1      LYS  11  23.313  32.486  39.752
   84    HZ2  LYS  11           HZ2      LYS  11  23.340  33.700  38.643
   85    HZ3  LYS  11           HZ3      LYS  11  22.571  32.276  38.298
   86    H    GLY  12           H        GLY  12  26.521  25.395  36.784
   87    HA2  GLY  12           HA2      GLY  12  26.610  23.838  39.311
   88    HA3  GLY  12           HA3      GLY  12  25.902  23.343  37.775
   89    H    ASN  13           H        ASN  13  28.280  24.033  36.163
   90    HA   ASN  13           HA       ASN  13  30.420  22.290  37.260
   91    HB2  ASN  13           HB2      ASN  13  29.317  22.164  34.434
   92    HB3  ASN  13           HB3      ASN  13  30.839  21.463  34.912
   93   HD21  ASN  13          HD21      ASN  13  27.601  20.768  34.523
   94   HD22  ASN  13          HD22      ASN  13  27.569  19.292  35.494
   95    H    LYS  14           H        LYS  14  32.528  22.762  36.426
   96    HA   LYS  14           HA       LYS  14  32.916  25.660  36.477
   97    HB2  LYS  14           HB2      LYS  14  34.131  23.900  37.797
   98    HB3  LYS  14           HB3      LYS  14  34.998  23.432  36.331
   99    HG2  LYS  14           HG2      LYS  14  36.203  25.482  36.279
  100    HG3  LYS  14           HG3      LYS  14  34.960  26.309  37.235
  101    HD2  LYS  14           HD2      LYS  14  36.941  26.030  38.607
  102    HD3  LYS  14           HD3      LYS  14  35.573  25.113  39.239
  103    HE2  LYS  14           HE2      LYS  14  36.590  23.108  37.895
  104    HE3  LYS  14           HE3      LYS  14  38.067  24.098  37.852
  105    HZ1  LYS  14           HZ1      LYS  14  37.895  22.503  39.762
  106    HZ2  LYS  14           HZ2      LYS  14  38.052  24.069  40.295
  107    HZ3  LYS  14           HZ3      LYS  14  36.608  23.314  40.328
  108    H    VAL  15           H        VAL  15  33.389  23.154  34.022
  109    HA   VAL  15           HA       VAL  15  33.518  25.325  31.992
  110    HB   VAL  15           HB       VAL  15  35.069  22.736  31.707
  111   HG11  VAL  15          HG11      VAL  15  34.876  25.200  29.937
  112   HG12  VAL  15          HG12      VAL  15  36.002  23.845  29.701
  113   HG13  VAL  15          HG13      VAL  15  34.263  23.582  29.559
  114   HG21  VAL  15          HG21      VAL  15  36.227  24.146  33.317
  115   HG22  VAL  15          HG22      VAL  15  37.081  24.221  31.773
  116   HG23  VAL  15          HG23      VAL  15  36.028  25.568  32.268
  117    H    VAL  16           H        VAL  16  31.937  25.244  30.582
  118    HA   VAL  16           HA       VAL  16  30.388  22.708  30.172
  119    HB   VAL  16           HB       VAL  16  29.173  25.470  30.521
  120   HG11  VAL  16          HG11      VAL  16  27.911  22.722  30.104
  121   HG12  VAL  16          HG12      VAL  16  27.024  24.213  30.488
  122   HG13  VAL  16          HG13      VAL  16  27.876  24.078  28.947
  123   HG21  VAL  16          HG21      VAL  16  28.119  24.459  32.552
  124   HG22  VAL  16          HG22      VAL  16  29.128  23.018  32.325
  125   HG23  VAL  16          HG23      VAL  16  29.873  24.588  32.706
  126    H    VAL  17           H        VAL  17  30.138  22.201  28.049
  127    HA   VAL  17           HA       VAL  17  30.581  24.338  25.989
  128    HB   VAL  17           HB       VAL  17  31.623  21.485  26.098
  129   HG11  VAL  17          HG11      VAL  17  30.957  21.979  23.767
  130   HG12  VAL  17          HG12      VAL  17  31.867  23.508  23.828
  131   HG13  VAL  17          HG13      VAL  17  32.707  21.940  23.929
  132   HG21  VAL  17          HG21      VAL  17  32.990  23.016  27.379
  133   HG22  VAL  17          HG22      VAL  17  33.819  22.650  25.863
  134   HG23  VAL  17          HG23      VAL  17  32.982  24.200  26.055
  135    H    PHE  18           H        PHE  18  29.281  24.339  24.172
  136    HA   PHE  18           HA       PHE  18  27.067  22.309  24.049
  137    HB2  PHE  18           HB2      PHE  18  26.902  25.230  23.296
  138    HB3  PHE  18           HB3      PHE  18  25.622  24.043  23.172
  139    HD1  PHE  18           HD1      PHE  18  27.579  26.166  25.470
  140    HD2  PHE  18           HD2      PHE  18  24.396  23.277  25.182
  141    HE1  PHE  18           HE1      PHE  18  26.730  26.878  27.690
  142    HE2  PHE  18           HE2      PHE  18  23.548  23.995  27.410
  143    HZ   PHE  18           HZ       PHE  18  24.676  25.868  28.621
  144    H    SER  19           H        SER  19  26.989  21.182  22.194
  145    HA   SER  19           HA       SER  19  28.671  22.004  19.848
  146    HB2  SER  19           HB2      SER  19  28.667  19.323  21.290
  147    HB3  SER  19           HB3      SER  19  29.632  19.763  19.880
  148    HG   SER  19           HG       SER  19  30.915  20.074  21.595
  149    H    TRP  20           H        TRP  20  28.546  20.529  17.955
  150    HA   TRP  20           HA       TRP  20  25.906  19.144  17.628
  151    HB2  TRP  20           HB2      TRP  20  27.129  21.282  15.934
  152    HB3  TRP  20           HB3      TRP  20  26.436  19.916  15.101
  153    HD1  TRP  20           HD1      TRP  20  24.256  20.529  18.032
  154    HE1  TRP  20           HE1      TRP  20  22.082  21.683  17.255
  155    HE3  TRP  20           HE3      TRP  20  25.763  22.123  13.407
  156    HZ2  TRP  20           HZ2      TRP  20  21.162  23.170  15.001
  157    HZ3  TRP  20           HZ3      TRP  20  24.213  23.427  11.968
  158    HH2  TRP  20           HH2      TRP  20  21.912  23.951  12.745
  159    H    VAL  21           H        VAL  21  25.945  17.175  16.781
  160    HA   VAL  21           HA       VAL  21  28.561  15.878  16.597
  161    HB   VAL  21           HB       VAL  21  26.985  14.942  18.107
  162   HG11  VAL  21          HG11      VAL  21  25.220  14.144  15.763
  163   HG12  VAL  21          HG12      VAL  21  24.992  13.750  17.470
  164   HG13  VAL  21          HG13      VAL  21  24.838  15.427  16.930
  165   HG21  VAL  21          HG21      VAL  21  28.676  13.493  17.053
  166   HG22  VAL  21          HG22      VAL  21  27.205  12.611  17.478
  167   HG23  VAL  21          HG23      VAL  21  27.506  13.045  15.788
  168    H    THR  22           H        THR  22  28.485  15.061  13.084
  169    HA   THR  22           HA       THR  22  30.163  15.609  15.521
  170    HB   THR  22           HB       THR  22  30.891  14.075  13.018
  171    HG1  THR  22           HG1      THR  22  29.726  12.755  14.211
  172   HG21  THR  22          HG21      THR  22  32.444  14.573  15.603
  173   HG22  THR  22          HG22      THR  22  32.885  15.178  13.987
  174   HG23  THR  22          HG23      THR  22  32.909  13.444  14.312
  175    H    CYS  23           H        CYS  23  31.649  17.206  15.450
  176    HA   CYS  23           HA       CYS  23  31.618  18.992  13.054
  177    HB2  CYS  23           HB2      CYS  23  30.264  19.984  14.727
  178    HB3  CYS  23           HB3      CYS  23  31.423  19.634  16.008
  179    HG   CYS  23           HG       CYS  23  31.086  22.279  14.960
  180    HA   PRO  24           HA       PRO  24  35.999  18.213  13.159
  181    HB2  PRO  24           HB2      PRO  24  36.929  20.085  11.398
  182    HB3  PRO  24           HB3      PRO  24  35.958  18.666  10.897
  183    HG2  PRO  24           HG2      PRO  24  34.959  21.484  11.471
  184    HG3  PRO  24           HG3      PRO  24  34.662  20.490  10.006
  185    HD2  PRO  24           HD2      PRO  24  32.859  20.566  12.015
  186    HD3  PRO  24           HD3      PRO  24  33.215  19.026  11.183
  187    H    TYR  25           H        TYR  25  34.614  21.214  14.232
  188    HA   TYR  25           HA       TYR  25  37.047  22.014  15.701
  189    HB2  TYR  25           HB2      TYR  25  34.215  23.095  15.839
  190    HB3  TYR  25           HB3      TYR  25  35.640  23.806  16.549
  191    HD1  TYR  25           HD1      TYR  25  37.669  23.681  14.395
  192    HD2  TYR  25           HD2      TYR  25  33.431  24.505  14.149
  193    HE1  TYR  25           HE1      TYR  25  38.021  24.897  12.265
  194    HE2  TYR  25           HE2      TYR  25  33.795  25.706  11.997
  195    HH   TYR  25           HH       TYR  25  37.080  26.184  10.688
  196    H    CYS  26           H        CYS  26  33.872  20.519  16.498
  197    HA   CYS  26           HA       CYS  26  34.318  20.653  19.300
  198    HB2  CYS  26           HB2      CYS  26  32.143  20.294  18.248
  199    HB3  CYS  26           HB3      CYS  26  32.539  18.623  17.878
  200    HG   CYS  26           HG       CYS  26  33.030  17.860  20.310
  201    H    VAL  27           H        VAL  27  35.274  18.076  17.053
  202    HA   VAL  27           HA       VAL  27  36.478  16.220  18.763
  203    HB   VAL  27           HB       VAL  27  36.324  16.203  16.441
  204   HG11  VAL  27          HG11      VAL  27  38.631  17.853  15.861
  205   HG12  VAL  27          HG12      VAL  27  37.513  17.013  14.771
  206   HG13  VAL  27          HG13      VAL  27  36.887  18.311  15.802
  207   HG21  VAL  27          HG21      VAL  27  37.921  14.623  17.627
  208   HG22  VAL  27          HG22      VAL  27  38.374  14.900  15.936
  209   HG23  VAL  27          HG23      VAL  27  39.234  15.754  17.238
  210    H    ARG  28           H        ARG  28  37.911  18.787  17.279
  211    HA   ARG  28           HA       ARG  28  40.440  19.013  18.629
  212    HB2  ARG  28           HB2      ARG  28  38.941  21.526  17.716
  213    HB3  ARG  28           HB3      ARG  28  40.606  21.420  18.212
  214    HG2  ARG  28           HG2      ARG  28  40.632  19.551  16.235
  215    HG3  ARG  28           HG3      ARG  28  39.310  20.588  15.674
  216    HD2  ARG  28           HD2      ARG  28  41.399  21.293  14.655
  217    HD3  ARG  28           HD3      ARG  28  40.741  22.549  15.700
  218    HE   ARG  28           HE       ARG  28  43.032  20.715  16.392
  219   HH11  ARG  28          HH12      ARG  28  41.690  24.004  16.636
  220   HH12  ARG  28          HH11      ARG  28  42.868  24.397  17.903
  221   HH21  ARG  28          HH22      ARG  28  44.559  21.526  17.856
  222   HH22  ARG  28          HH21      ARG  28  44.363  23.191  18.443
  223    H    ALA  29           H        ALA  29  37.467  20.706  19.595
  224    HA   ALA  29           HA       ALA  29  38.531  21.785  22.018
  225    HB1  ALA  29           HB1      ALA  29  35.640  21.105  21.334
  226    HB2  ALA  29           HB2      ALA  29  36.196  22.201  22.616
  227    HB3  ALA  29           HB3      ALA  29  36.480  22.616  20.914
  228    H    GLU  30           H        GLU  30  36.527  18.745  21.608
  229    HA   GLU  30           HA       GLU  30  36.634  17.959  24.358
  230    HB2  GLU  30           HB2      GLU  30  36.532  16.283  21.807
  231    HB3  GLU  30           HB3      GLU  30  36.326  15.635  23.435
  232    HG2  GLU  30           HG2      GLU  30  34.329  17.091  23.755
  233    HG3  GLU  30           HG3      GLU  30  34.436  17.609  22.069
  234    H    LYS  31           H        LYS  31  38.969  17.379  21.758
  235    HA   LYS  31           HA       LYS  31  40.573  15.598  23.271
  236    HB2  LYS  31           HB2      LYS  31  40.624  15.702  20.826
  237    HB3  LYS  31           HB3      LYS  31  41.126  17.395  20.861
  238    HG2  LYS  31           HG2      LYS  31  43.306  16.714  21.884
  239    HG3  LYS  31           HG3      LYS  31  42.779  15.025  21.817
  240    HD2  LYS  31           HD2      LYS  31  44.178  15.409  19.929
  241    HD3  LYS  31           HD3      LYS  31  42.513  15.286  19.320
  242    HE2  LYS  31           HE2      LYS  31  42.359  17.571  18.848
  243    HE3  LYS  31           HE3      LYS  31  43.665  18.007  19.981
  244    HZ1  LYS  31           HZ1      LYS  31  44.011  16.584  17.409
  245    HZ2  LYS  31           HZ2      LYS  31  44.441  18.149  17.688
  246    HZ3  LYS  31           HZ3      LYS  31  45.234  16.925  18.470
  247    H    LEU  32           H        LEU  32  40.993  19.068  22.602
  248    HA   LEU  32           HA       LEU  32  43.323  19.584  24.166
  249    HB2  LEU  32           HB2      LEU  32  42.210  20.891  22.320
  250    HB3  LEU  32           HB3      LEU  32  40.978  21.343  23.496
  251    HG   LEU  32           HG       LEU  32  42.549  23.106  22.999
  252   HD11  LEU  32          HD11      LEU  32  43.064  23.934  25.155
  253   HD12  LEU  32          HD12      LEU  32  41.560  23.006  25.308
  254   HD13  LEU  32          HD13      LEU  32  43.112  22.321  25.866
  255   HD21  LEU  32          HD21      LEU  32  44.764  21.470  24.262
  256   HD22  LEU  32          HD22      LEU  32  44.537  21.711  22.514
  257   HD23  LEU  32          HD23      LEU  32  44.868  23.098  23.555
  258    H    LEU  33           H        LEU  33  39.840  19.850  24.979
  259    HA   LEU  33           HA       LEU  33  40.210  20.987  27.551
  260    HB2  LEU  33           HB2      LEU  33  37.918  19.362  26.357
  261    HB3  LEU  33           HB3      LEU  33  37.796  20.190  27.902
  262    HG   LEU  33           HG       LEU  33  38.412  21.624  25.305
  263   HD11  LEU  33          HD11      LEU  33  36.129  20.584  25.288
  264   HD12  LEU  33          HD12      LEU  33  35.743  21.671  26.652
  265   HD13  LEU  33          HD13      LEU  33  36.207  22.341  25.087
  266   HD21  LEU  33          HD21      LEU  33  39.128  22.919  27.205
  267   HD22  LEU  33          HD22      LEU  33  37.652  23.639  26.557
  268   HD23  LEU  33          HD23      LEU  33  37.558  22.645  28.022
  269    H    HIS  34           H        HIS  34  39.792  17.565  26.639
  270    HA   HIS  34           HA       HIS  34  40.257  16.630  29.348
  271    HB2  HIS  34           HB2      HIS  34  40.058  15.334  26.617
  272    HB3  HIS  34           HB3      HIS  34  40.592  14.425  28.024
  273    HD1  HIS  34           HD1      HIS  34  38.832  14.287  30.109
  274    HD2  HIS  34           HD2      HIS  34  37.365  15.607  26.403
  275    HE1  HIS  34           HE1      HIS  34  36.283  14.037  30.217
  276    H    ALA  35           H        ALA  35  42.467  17.387  26.571
  277    HA   ALA  35           HA       ALA  35  44.647  15.856  27.670
  278    HB1  ALA  35           HB1      ALA  35  44.520  16.450  25.299
  279    HB2  ALA  35           HB2      ALA  35  44.663  18.181  25.704
  280    HB3  ALA  35           HB3      ALA  35  46.011  17.070  26.014
  281    H    ARG  36           H        ARG  36  43.615  19.141  28.249
  282    HA   ARG  36           HA       ARG  36  45.953  19.670  30.026
  283    HB2  ARG  36           HB2      ARG  36  44.187  21.335  28.233
  284    HB3  ARG  36           HB3      ARG  36  44.972  22.104  29.602
  285    HG2  ARG  36           HG2      ARG  36  46.567  20.422  27.686
  286    HG3  ARG  36           HG3      ARG  36  46.256  22.126  27.360
  287    HD2  ARG  36           HD2      ARG  36  47.365  21.236  30.044
  288    HD3  ARG  36           HD3      ARG  36  48.434  21.461  28.649
  289    HE   ARG  36           HE       ARG  36  47.334  23.777  28.469
  290   HH11  ARG  36          HH22      ARG  36  47.793  22.400  31.702
  291   HH12  ARG  36          HH21      ARG  36  47.772  24.005  32.403
  292   HH21  ARG  36          HH12      ARG  36  47.729  25.690  29.438
  293   HH22  ARG  36          HH11      ARG  36  47.970  25.741  31.183
  294    H    THR  37           H        THR  37  43.203  18.481  30.625
  295    HA   THR  37           HA       THR  37  42.001  18.099  32.511
  296    HB   THR  37           HB       THR  37  43.448  19.965  34.260
  297    HG1  THR  37           HG1      THR  37  45.222  18.746  34.458
  298   HG21  THR  37          HG21      THR  37  41.766  18.283  35.095
  299   HG22  THR  37          HG22      THR  37  43.358  18.041  35.824
  300   HG23  THR  37          HG23      THR  37  42.811  16.978  34.511
  301    H    LYS  38           H        LYS  38  40.925  20.011  30.826
  302    HA   LYS  38           HA       LYS  38  39.845  22.177  32.573
  303    HB2  LYS  38           HB2      LYS  38  39.138  21.212  29.775
  304    HB3  LYS  38           HB3      LYS  38  38.041  22.160  30.757
  305    HG2  LYS  38           HG2      LYS  38  39.114  23.721  29.368
  306    HG3  LYS  38           HG3      LYS  38  39.777  23.967  30.937
  307    HD2  LYS  38           HD2      LYS  38  41.179  22.374  28.736
  308    HD3  LYS  38           HD3      LYS  38  41.384  24.088  28.942
  309    HE2  LYS  38           HE2      LYS  38  41.884  22.797  31.476
  310    HE3  LYS  38           HE3      LYS  38  42.726  21.911  30.220
  311    HZ1  LYS  38           HZ1      LYS  38  44.084  23.661  31.176
  312    HZ2  LYS  38           HZ2      LYS  38  43.875  23.985  29.578
  313    HZ3  LYS  38           HZ3      LYS  38  43.046  24.808  30.732
  314    H    ASP  39           H        ASP  39  38.715  21.477  34.227
  315    HA   ASP  39           HA       ASP  39  37.284  19.086  34.387
  316    HB2  ASP  39           HB2      ASP  39  38.034  20.704  36.260
  317    HB3  ASP  39           HB3      ASP  39  36.607  21.658  35.911
  318    H    ILE  40           H        ILE  40  35.928  18.599  32.772
  319    HA   ILE  40           HA       ILE  40  34.118  20.718  31.755
  320    HB   ILE  40           HB       ILE  40  36.263  20.443  30.659
  321   HG12  ILE  40          HG12      ILE  40  33.819  20.934  29.472
  322   HG13  ILE  40          HG13      ILE  40  35.411  21.340  28.890
  323   HG21  ILE  40          HG21      ILE  40  35.358  17.740  29.611
  324   HG22  ILE  40          HG22      ILE  40  36.898  18.560  29.317
  325   HG23  ILE  40          HG23      ILE  40  36.500  17.952  30.920
  326   HD11  ILE  40          HD11      ILE  40  35.504  19.381  27.458
  327   HD12  ILE  40          HD12      ILE  40  33.967  18.766  28.145
  328   HD13  ILE  40          HD13      ILE  40  33.988  20.245  27.174
  329    H    THR  41           H        THR  41  32.199  20.457  31.080
  330    HA   THR  41           HA       THR  41  31.026  17.754  30.490
  331    HB   THR  41           HB       THR  41  29.896  20.183  31.920
  332    HG1  THR  41           HG1      THR  41  30.837  18.608  33.202
  333   HG21  THR  41          HG21      THR  41  28.315  17.895  30.685
  334   HG22  THR  41          HG22      THR  41  28.135  19.643  30.372
  335   HG23  THR  41          HG23      THR  41  27.700  18.982  31.951
  336    H    VAL  42           H        VAL  42  30.484  17.584  28.311
  337    HA   VAL  42           HA       VAL  42  29.637  20.045  26.894
  338    HB   VAL  42           HB       VAL  42  31.306  19.515  25.637
  339   HG11  VAL  42          HG11      VAL  42  31.209  16.612  26.223
  340   HG12  VAL  42          HG12      VAL  42  32.358  17.440  25.142
  341   HG13  VAL  42          HG13      VAL  42  32.321  17.880  26.844
  342   HG21  VAL  42          HG21      VAL  42  29.421  17.526  24.374
  343   HG22  VAL  42          HG22      VAL  42  29.418  19.289  24.095
  344   HG23  VAL  42          HG23      VAL  42  30.803  18.312  23.596
  345    H    HIS  43           H        HIS  43  27.816  20.265  25.932
  346    HA   HIS  43           HA       HIS  43  25.695  18.169  26.093
  347    HB2  HIS  43           HB2      HIS  43  25.772  21.205  26.259
  348    HB3  HIS  43           HB3      HIS  43  24.300  20.367  25.867
  349    HD1  HIS  43           HD1      HIS  43  26.036  21.647  28.795
  350    HD2  HIS  43           HD2      HIS  43  23.677  18.288  27.889
  351    HE1  HIS  43           HE1      HIS  43  25.181  20.744  31.031
  352    H    TYR  44           H        TYR  44  25.359  17.198  24.127
  353    HA   TYR  44           HA       TYR  44  25.913  18.709  21.634
  354    HB2  TYR  44           HB2      TYR  44  25.247  15.827  22.239
  355    HB3  TYR  44           HB3      TYR  44  25.128  16.486  20.614
  356    HD1  TYR  44           HD2      TYR  44  27.035  17.291  19.361
  357    HD2  TYR  44           HD1      TYR  44  27.527  15.630  23.304
  358    HE1  TYR  44           HE2      TYR  44  29.478  17.020  18.935
  359    HE2  TYR  44           HE1      TYR  44  29.984  15.426  22.906
  360    HH   TYR  44           HH       TYR  44  31.689  15.733  21.439
  361    H    VAL  45           H        VAL  45  24.400  20.296  21.411
  362    HA   VAL  45           HA       VAL  45  21.667  19.923  22.203
  363    HB   VAL  45           HB       VAL  45  21.206  22.133  21.458
  364   HG11  VAL  45          HG11      VAL  45  23.954  22.074  22.747
  365   HG12  VAL  45          HG12      VAL  45  22.751  23.377  22.834
  366   HG13  VAL  45          HG13      VAL  45  22.408  21.811  23.588
  367   HG21  VAL  45          HG21      VAL  45  22.839  23.615  20.381
  368   HG22  VAL  45          HG22      VAL  45  23.955  22.244  20.161
  369   HG23  VAL  45          HG23      VAL  45  22.378  22.289  19.331
  370    H    ASP  46           H        ASP  46  22.889  18.444  19.696
  371    HA   ASP  46           HA       ASP  46  20.550  18.683  17.889
  372    HB2  ASP  46           HB2      ASP  46  22.966  18.633  17.078
  373    HB3  ASP  46           HB3      ASP  46  23.032  16.961  17.612
  374    H    LYS  47           H        LYS  47  21.684  16.762  20.540
  375    HA   LYS  47           HA       LYS  47  20.553  14.179  19.888
  376    HB2  LYS  47           HB2      LYS  47  21.466  15.549  22.458
  377    HB3  LYS  47           HB3      LYS  47  20.902  13.906  22.450
  378    HG2  LYS  47           HG2      LYS  47  23.275  14.802  20.764
  379    HG3  LYS  47           HG3      LYS  47  23.376  14.230  22.429
  380    HD2  LYS  47           HD2      LYS  47  21.937  12.185  21.397
  381    HD3  LYS  47           HD3      LYS  47  22.786  12.670  19.927
  382    HE2  LYS  47           HE2      LYS  47  24.957  12.342  21.005
  383    HE3  LYS  47           HE3      LYS  47  24.193  12.192  22.594
  384    HZ1  LYS  47           HZ1      LYS  47  23.111  10.166  21.819
  385    HZ2  LYS  47           HZ2      LYS  47  23.918  10.249  20.378
  386    HZ3  LYS  47           HZ3      LYS  47  24.750  10.015  21.774
  387    H    MET  48           H        MET  48  19.242  16.964  21.632
  388    HA   MET  48           HA       MET  48  16.682  15.517  22.095
  389    HB2  MET  48           HB2      MET  48  16.717  15.962  24.388
  390    HB3  MET  48           HB3      MET  48  18.313  15.325  24.015
  391    HG2  MET  48           HG2      MET  48  17.545  18.211  24.575
  392    HG3  MET  48           HG3      MET  48  18.480  17.136  25.595
  393    HE1  MET  48           HE1      MET  48  21.209  19.692  24.978
  394    HE2  MET  48           HE2      MET  48  19.509  19.813  25.489
  395    HE3  MET  48           HE3      MET  48  20.532  18.504  26.114
  396    H    SER  49           H        SER  49  14.833  16.773  22.545
  397    HA   SER  49           HA       SER  49  14.396  18.974  20.933
  398    HB2  SER  49           HB2      SER  49  12.984  18.158  23.496
  399    HB3  SER  49           HB3      SER  49  12.335  19.342  22.346
  400    HG   SER  49           HG       SER  49  12.434  17.743  20.723
  401    H    GLU  50           H        GLU  50  15.133  19.086  24.408
  402    HA   GLU  50           HA       GLU  50  14.899  21.853  24.806
  403    HB2  GLU  50           HB2      GLU  50  16.607  19.660  26.060
  404    HB3  GLU  50           HB3      GLU  50  16.656  21.318  26.667
  405    HG2  GLU  50           HG2      GLU  50  15.180  20.139  28.071
  406    HG3  GLU  50           HG3      GLU  50  14.212  21.225  27.081
  407    H    GLY  51           H        GLY  51  17.462  20.211  23.072
  408    HA2  GLY  51           HA2      GLY  51  19.636  21.937  23.364
  409    HA3  GLY  51           HA3      GLY  51  19.200  21.035  21.906
  410    H    GLU  52           H        GLU  52  16.621  22.533  21.516
  411    HA   GLU  52           HA       GLU  52  17.696  24.783  20.013
  412    HB2  GLU  52           HB2      GLU  52  15.925  23.933  18.901
  413    HB3  GLU  52           HB3      GLU  52  15.201  23.256  20.331
  414    HG2  GLU  52           HG2      GLU  52  13.646  24.665  19.475
  415    HG3  GLU  52           HG3      GLU  52  14.202  25.431  20.944
  416    H    GLN  53           H        GLN  53  15.987  24.452  23.102
  417    HA   GLN  53           HA       GLN  53  15.677  27.298  23.569
  418    HB2  GLN  53           HB2      GLN  53  14.244  25.475  24.497
  419    HB3  GLN  53           HB3      GLN  53  15.593  24.934  25.497
  420    HG2  GLN  53           HG2      GLN  53  15.575  27.065  26.730
  421    HG3  GLN  53           HG3      GLN  53  14.323  27.701  25.646
  422   HE21  GLN  53          HE21      GLN  53  12.215  26.496  25.592
  423   HE22  GLN  53          HE22      GLN  53  11.709  25.617  27.036
  424    H    LEU  54           H        LEU  54  18.134  24.828  24.426
  425    HA   LEU  54           HA       LEU  54  19.758  26.646  25.997
  426    HB2  LEU  54           HB2      LEU  54  20.514  24.083  24.553
  427    HB3  LEU  54           HB3      LEU  54  21.563  24.967  25.634
  428    HG   LEU  54           HG       LEU  54  20.855  23.967  27.433
  429   HD11  LEU  54          HD11      LEU  54  18.736  25.275  27.602
  430   HD12  LEU  54          HD12      LEU  54  17.923  23.991  26.671
  431   HD13  LEU  54          HD13      LEU  54  18.643  23.636  28.252
  432   HD21  LEU  54          HD21      LEU  54  21.046  22.083  25.930
  433   HD22  LEU  54          HD22      LEU  54  19.891  21.794  27.244
  434   HD23  LEU  54          HD23      LEU  54  19.293  22.162  25.618
  435    H    ARG  55           H        ARG  55  20.061  25.508  22.577
  436    HA   ARG  55           HA       ARG  55  22.279  27.199  21.971
  437    HB2  ARG  55           HB2      ARG  55  22.210  26.310  19.925
  438    HB3  ARG  55           HB3      ARG  55  21.126  25.143  20.704
  439    HG2  ARG  55           HG2      ARG  55  19.206  26.507  19.795
  440    HG3  ARG  55           HG3      ARG  55  20.437  27.374  18.844
  441    HD2  ARG  55           HD2      ARG  55  21.174  25.176  17.887
  442    HD3  ARG  55           HD3      ARG  55  19.831  24.399  18.743
  443    HE   ARG  55           HE       ARG  55  19.361  26.648  16.810
  444   HH11  ARG  55          HH12      ARG  55  18.943  23.144  17.270
  445   HH12  ARG  55          HH11      ARG  55  17.615  23.165  16.124
  446   HH21  ARG  55          HH22      ARG  55  17.647  26.403  15.361
  447   HH22  ARG  55          HH21      ARG  55  16.921  24.803  15.223
  448    H    GLY  56           H        GLY  56  18.830  27.865  21.872
  449    HA2  GLY  56           HA2      GLY  56  18.976  30.334  20.522
  450    HA3  GLY  56           HA3      GLY  56  17.679  29.820  21.620
  451    H    GLU  57           H        GLU  57  19.336  29.652  24.081
  452    HA   GLU  57           HA       GLU  57  19.498  32.411  24.920
  453    HB2  GLU  57           HB2      GLU  57  20.678  29.856  26.054
  454    HB3  GLU  57           HB3      GLU  57  20.915  31.433  26.779
  455    HG2  GLU  57           HG2      GLU  57  18.339  29.839  26.658
  456    HG3  GLU  57           HG3      GLU  57  19.254  30.469  27.999
  457    H    ILE  58           H        ILE  58  21.918  30.224  23.481
  458    HA   ILE  58           HA       ILE  58  24.133  32.075  23.884
  459    HB   ILE  58           HB       ILE  58  23.980  29.809  21.866
  460   HG12  ILE  58          HG12      ILE  58  25.070  29.690  24.718
  461   HG13  ILE  58          HG13      ILE  58  23.498  29.043  24.248
  462   HG21  ILE  58          HG21      ILE  58  26.445  29.887  22.018
  463   HG22  ILE  58          HG22      ILE  58  25.831  31.459  21.541
  464   HG23  ILE  58          HG23      ILE  58  26.353  31.199  23.219
  465   HD11  ILE  58          HD11      ILE  58  24.942  27.206  24.303
  466   HD12  ILE  58          HD12      ILE  58  24.649  27.543  22.587
  467   HD13  ILE  58          HD13      ILE  58  26.184  28.028  23.349
  468    H    TYR  59           H        TYR  59  22.005  31.286  21.076
  469    HA   TYR  59           HA       TYR  59  23.287  33.105  19.339
  470    HB2  TYR  59           HB2      TYR  59  21.575  31.178  18.865
  471    HB3  TYR  59           HB3      TYR  59  20.368  32.456  18.967
  472    HD1  TYR  59           HD1      TYR  59  20.597  34.481  17.354
  473    HD2  TYR  59           HD2      TYR  59  23.072  30.972  17.067
  474    HE1  TYR  59           HE1      TYR  59  21.405  35.224  15.114
  475    HE2  TYR  59           HE2      TYR  59  23.830  31.657  14.817
  476    HH   TYR  59           HH       TYR  59  23.928  33.376  13.355
  477    H    GLN  60           H        GLN  60  20.466  33.687  21.489
  478    HA   GLN  60           HA       GLN  60  19.844  36.285  20.486
  479    HB2  GLN  60           HB2      GLN  60  19.398  34.945  23.182
  480    HB3  GLN  60           HB3      GLN  60  18.784  36.561  22.807
  481    HG2  GLN  60           HG2      GLN  60  17.452  35.719  20.952
  482    HG3  GLN  60           HG3      GLN  60  18.151  34.116  21.099
  483   HE21  GLN  60          HE21      GLN  60  15.881  33.365  21.235
  484   HE22  GLN  60          HE22      GLN  60  15.109  33.405  22.820
  485    H    ALA  61           H        ALA  61  22.231  35.316  22.975
  486    HA   ALA  61           HA       ALA  61  22.976  38.094  23.532
  487    HB1  ALA  61           HB1      ALA  61  22.962  36.441  25.306
  488    HB2  ALA  61           HB2      ALA  61  24.120  35.423  24.424
  489    HB3  ALA  61           HB3      ALA  61  24.619  37.014  25.040
  490    H    TYR  62           H        TYR  62  24.457  35.381  21.688
  491    HA   TYR  62           HA       TYR  62  26.798  37.132  21.073
  492    HB2  TYR  62           HB2      TYR  62  26.654  34.114  21.313
  493    HB3  TYR  62           HB3      TYR  62  28.099  35.069  21.013
  494    HD1  TYR  62           HD2      TYR  62  28.679  36.938  22.763
  495    HD2  TYR  62           HD1      TYR  62  26.094  33.581  23.552
  496    HE1  TYR  62           HE2      TYR  62  28.972  37.283  25.208
  497    HE2  TYR  62           HE1      TYR  62  26.387  33.907  25.990
  498    HH   TYR  62           HH       TYR  62  27.240  35.365  27.654
  499    H    LYS  63           H        LYS  63  24.170  35.778  19.449
  500    HA   LYS  63           HA       LYS  63  23.683  35.216  17.362
  501    HB2  LYS  63           HB2      LYS  63  25.786  37.260  16.573
  502    HB3  LYS  63           HB3      LYS  63  24.434  36.735  15.575
  503    HG2  LYS  63           HG2      LYS  63  24.131  38.169  18.253
  504    HG3  LYS  63           HG3      LYS  63  24.151  38.961  16.686
  505    HD2  LYS  63           HD2      LYS  63  22.085  38.145  16.035
  506    HD3  LYS  63           HD3      LYS  63  22.136  36.748  17.124
  507    HE2  LYS  63           HE2      LYS  63  21.727  38.045  19.057
  508    HE3  LYS  63           HE3      LYS  63  22.031  39.573  18.208
  509    HZ1  LYS  63           HZ1      LYS  63  20.041  39.288  16.958
  510    HZ2  LYS  63           HZ2      LYS  63  19.779  37.774  17.498
  511    HZ3  LYS  63           HZ3      LYS  63  19.626  39.080  18.512
  512    H    HIS  64           H        HIS  64  25.498  33.463  18.488
  513    HA   HIS  64           HA       HIS  64  26.223  31.986  16.062
  514    HB2  HIS  64           HB2      HIS  64  28.103  32.157  18.473
  515    HB3  HIS  64           HB3      HIS  64  28.368  31.230  17.001
  516    HD1  HIS  64           HD1      HIS  64  28.703  32.929  14.696
  517    HD2  HIS  64           HD2      HIS  64  29.332  34.452  18.562
  518    HE1  HIS  64           HE1      HIS  64  30.078  35.052  14.406
  519    H    GLU  65           H        GLU  65  26.268  29.747  16.344
  520    HA   GLU  65           HA       GLU  65  24.126  29.073  18.330
  521    HB2  GLU  65           HB2      GLU  65  23.760  29.598  15.697
  522    HB3  GLU  65           HB3      GLU  65  24.181  27.972  15.534
  523    HG2  GLU  65           HG2      GLU  65  22.396  27.327  17.166
  524    HG3  GLU  65           HG3      GLU  65  22.059  29.050  17.390
  525    H    THR  66           H        THR  66  26.521  27.462  16.191
  526    HA   THR  66           HA       THR  66  27.605  26.220  18.612
  527    HB   THR  66           HB       THR  66  28.075  24.078  17.669
  528    HG1  THR  66           HG1      THR  66  26.420  24.823  15.485
  529   HG21  THR  66          HG21      THR  66  25.971  22.985  17.807
  530   HG22  THR  66          HG22      THR  66  25.079  24.471  17.414
  531   HG23  THR  66          HG23      THR  66  25.952  24.324  18.957
  532    H    VAL  67           H        VAL  67  29.785  25.893  18.470
  533    HA   VAL  67           HA       VAL  67  31.293  26.810  16.097
  534    HB   VAL  67           HB       VAL  67  31.451  28.134  18.826
  535   HG11  VAL  67          HG11      VAL  67  33.747  27.914  18.046
  536   HG12  VAL  67          HG12      VAL  67  33.286  28.482  16.423
  537   HG13  VAL  67          HG13      VAL  67  33.223  29.581  17.815
  538   HG21  VAL  67          HG21      VAL  67  29.682  29.080  17.472
  539   HG22  VAL  67          HG22      VAL  67  31.032  30.208  17.527
  540   HG23  VAL  67          HG23      VAL  67  30.778  29.220  16.076
  541    HA   PRO  68           HA       PRO  68  30.255  24.639  19.326
  542    HB2  PRO  68           HB2      PRO  68  31.343  23.545  21.515
  543    HB3  PRO  68           HB3      PRO  68  31.159  22.620  19.997
  544    HG2  PRO  68           HG2      PRO  68  33.640  24.089  20.969
  545    HG3  PRO  68           HG3      PRO  68  33.503  22.372  20.464
  546    HD2  PRO  68           HD2      PRO  68  34.306  24.279  18.719
  547    HD3  PRO  68           HD3      PRO  68  33.208  22.979  18.182
  548    H    ALA  69           H        ALA  69  29.558  25.548  21.398
  549    HA   ALA  69           HA       ALA  69  30.849  28.191  21.908
  550    HB1  ALA  69           HB1      ALA  69  28.653  28.666  23.042
  551    HB2  ALA  69           HB2      ALA  69  28.477  28.236  21.328
  552    HB3  ALA  69           HB3      ALA  69  28.114  27.043  22.591
  553    H    ILE  70           H        ILE  70  31.990  28.564  23.764
  554    HA   ILE  70           HA       ILE  70  32.168  26.310  25.724
  555    HB   ILE  70           HB       ILE  70  34.296  28.154  24.586
  556   HG12  ILE  70          HG12      ILE  70  34.350  25.151  24.235
  557   HG13  ILE  70          HG13      ILE  70  33.337  26.095  23.161
  558   HG21  ILE  70          HG21      ILE  70  34.567  25.905  26.621
  559   HG22  ILE  70          HG22      ILE  70  35.924  26.704  25.806
  560   HG23  ILE  70          HG23      ILE  70  34.884  27.634  26.878
  561   HD11  ILE  70          HD11      ILE  70  36.314  26.540  23.511
  562   HD12  ILE  70          HD12      ILE  70  35.519  25.736  22.146
  563   HD13  ILE  70          HD13      ILE  70  35.244  27.464  22.436
  564    H    PHE  71           H        PHE  71  31.965  26.771  27.850
  565    HA   PHE  71           HA       PHE  71  32.052  29.621  28.704
  566    HB2  PHE  71           HB2      PHE  71  30.096  27.462  29.526
  567    HB3  PHE  71           HB3      PHE  71  30.249  29.030  30.300
  568    HD1  PHE  71           HD1      PHE  71  29.435  27.404  27.016
  569    HD2  PHE  71           HD2      PHE  71  29.107  30.938  29.470
  570    HE1  PHE  71           HE1      PHE  71  27.857  28.410  25.376
  571    HE2  PHE  71           HE2      PHE  71  27.485  31.900  27.863
  572    HZ   PHE  71           HZ       PHE  71  26.873  30.635  25.802
  573    H    ILE  72           H        ILE  72  33.206  30.100  30.455
  574    HA   ILE  72           HA       ILE  72  34.298  27.951  32.229
  575    HB   ILE  72           HB       ILE  72  35.944  30.158  30.915
  576   HG12  ILE  72          HG12      ILE  72  36.050  27.157  30.372
  577   HG13  ILE  72          HG13      ILE  72  35.338  28.349  29.286
  578   HG21  ILE  72          HG21      ILE  72  37.873  28.991  32.007
  579   HG22  ILE  72          HG22      ILE  72  36.726  29.574  33.193
  580   HG23  ILE  72          HG23      ILE  72  36.743  27.852  32.766
  581   HD11  ILE  72          HD11      ILE  72  37.491  27.838  28.438
  582   HD12  ILE  72          HD12      ILE  72  37.561  29.485  29.100
  583   HD13  ILE  72          HD13      ILE  72  38.260  28.125  30.002
  584    H    ASN  73           H        ASN  73  33.808  28.488  34.272
  585    HA   ASN  73           HA       ASN  73  33.085  29.646  36.062
  586    HB2  ASN  73           HB2      ASN  73  35.406  31.450  35.235
  587    HB3  ASN  73           HB3      ASN  73  34.630  31.492  36.815
  588   HD21  ASN  73          HD21      ASN  73  37.397  30.946  36.569
  589   HD22  ASN  73          HD22      ASN  73  37.641  29.236  36.969
  590    H    GLY  74           H        GLY  74  31.257  30.122  34.138
  591    HA2  GLY  74           HA2      GLY  74  29.526  31.549  33.531
  592    HA3  GLY  74           HA3      GLY  74  30.083  32.680  34.731
  593    H    ASN  75           H        ASN  75  32.577  32.154  32.428
  594    HA   ASN  75           HA       ASN  75  31.838  34.583  30.848
  595    HB2  ASN  75           HB2      ASN  75  34.537  33.197  31.112
  596    HB3  ASN  75           HB3      ASN  75  34.223  34.734  30.336
  597   HD21  ASN  75          HD21      ASN  75  34.583  33.140  33.400
  598   HD22  ASN  75          HD22      ASN  75  34.636  34.670  34.301
  599    H    PHE  76           H        PHE  76  31.639  34.466  28.606
  600    HA   PHE  76           HA       PHE  76  31.641  31.780  27.345
  601    HB2  PHE  76           HB2      PHE  76  29.620  32.939  26.995
  602    HB3  PHE  76           HB3      PHE  76  30.428  34.440  26.607
  603    HD1  PHE  76           HD2      PHE  76  30.144  30.895  25.348
  604    HD2  PHE  76           HD1      PHE  76  30.800  35.039  24.365
  605    HE1  PHE  76           HE2      PHE  76  30.212  30.327  22.932
  606    HE2  PHE  76           HE1      PHE  76  30.852  34.465  21.955
  607    HZ   PHE  76           HZ       PHE  76  30.552  32.102  21.233
  608    H    ILE  77           H        ILE  77  32.920  31.143  25.776
  609    HA   ILE  77           HA       ILE  77  34.906  32.948  24.473
  610    HB   ILE  77           HB       ILE  77  35.377  30.128  25.563
  611   HG12  ILE  77          HG12      ILE  77  37.381  31.334  26.697
  612   HG13  ILE  77          HG13      ILE  77  36.490  32.827  26.439
  613   HG21  ILE  77          HG21      ILE  77  37.675  30.358  24.696
  614   HG22  ILE  77          HG22      ILE  77  36.508  30.426  23.388
  615   HG23  ILE  77          HG23      ILE  77  37.256  31.927  23.986
  616   HD11  ILE  77          HD11      ILE  77  34.768  32.097  27.995
  617   HD12  ILE  77          HD12      ILE  77  35.364  30.424  27.956
  618   HD13  ILE  77          HD13      ILE  77  36.315  31.709  28.728
  619    H    GLY  78           H        GLY  78  34.831  32.755  22.245
  620    HA2  GLY  78           HA2      GLY  78  33.538  30.283  21.095
  621    HA3  GLY  78           HA3      GLY  78  33.339  31.887  20.410
  622    H    GLY  79           H        GLY  79  35.008  29.079  20.193
  623    HA2  GLY  79           HA2      GLY  79  36.095  28.787  17.968
  624    HA3  GLY  79           HA3      GLY  79  37.060  30.211  18.341
  625    H    CYS  80           H        CYS  80  37.614  27.113  17.975
  626    HA   CYS  80           HA       CYS  80  38.773  26.249  20.434
  627    HB2  CYS  80           HB2      CYS  80  39.483  25.506  17.570
  628    HB3  CYS  80           HB3      CYS  80  40.054  24.657  19.020
  629    HG   CYS  80           HG       CYS  80  36.949  25.161  17.955
  630    H    SER  81           H        SER  81  40.238  28.241  17.820
  631    HA   SER  81           HA       SER  81  42.820  28.462  19.071
  632    HB2  SER  81           HB2      SER  81  43.117  30.447  17.635
  633    HB3  SER  81           HB3      SER  81  42.514  29.042  16.746
  634    HG   SER  81           HG       SER  81  41.234  31.448  17.411
  635    H    ASP  82           H        ASP  82  39.789  30.134  19.693
  636    HA   ASP  82           HA       ASP  82  40.870  32.285  21.288
  637    HB2  ASP  82           HB2      ASP  82  38.533  31.875  20.051
  638    HB3  ASP  82           HB3      ASP  82  38.058  31.187  21.582
  639    H    LEU  83           H        LEU  83  39.532  29.112  21.954
  640    HA   LEU  83           HA       LEU  83  39.846  29.085  24.839
  641    HB2  LEU  83           HB2      LEU  83  38.364  27.526  23.751
  642    HB3  LEU  83           HB3      LEU  83  39.625  26.958  22.680
  643    HG   LEU  83           HG       LEU  83  40.812  25.898  24.586
  644   HD11  LEU  83          HD11      LEU  83  39.607  25.568  26.719
  645   HD12  LEU  83          HD12      LEU  83  39.980  27.276  26.454
  646   HD13  LEU  83          HD13      LEU  83  38.329  26.679  26.176
  647   HD21  LEU  83          HD21      LEU  83  39.215  24.661  23.153
  648   HD22  LEU  83          HD22      LEU  83  39.316  24.023  24.795
  649   HD23  LEU  83          HD23      LEU  83  37.919  25.015  24.318
  650    H    GLU  84           H        GLU  84  41.941  27.829  22.193
  651    HA   GLU  84           HA       GLU  84  44.029  26.880  23.917
  652    HB2  GLU  84           HB2      GLU  84  44.098  27.727  20.991
  653    HB3  GLU  84           HB3      GLU  84  45.472  27.042  21.874
  654    HG2  GLU  84           HG2      GLU  84  44.215  24.992  22.335
  655    HG3  GLU  84           HG3      GLU  84  42.860  25.579  21.378
  656    H    ALA  85           H        ALA  85  43.383  30.105  22.556
  657    HA   ALA  85           HA       ALA  85  45.904  31.279  23.014
  658    HB1  ALA  85           HB1      ALA  85  44.056  32.349  21.756
  659    HB2  ALA  85           HB2      ALA  85  43.091  32.482  23.232
  660    HB3  ALA  85           HB3      ALA  85  44.607  33.405  23.067
  661    H    LEU  86           H        LEU  86  43.215  30.775  25.308
  662    HA   LEU  86           HA       LEU  86  44.484  32.176  27.534
  663    HB2  LEU  86           HB2      LEU  86  42.270  30.083  27.569
  664    HB3  LEU  86           HB3      LEU  86  42.693  31.218  28.853
  665    HG   LEU  86           HG       LEU  86  41.496  31.952  26.147
  666   HD11  LEU  86          HD11      LEU  86  40.310  31.995  28.951
  667   HD12  LEU  86          HD12      LEU  86  39.509  32.530  27.459
  668   HD13  LEU  86          HD13      LEU  86  39.920  30.820  27.668
  669   HD21  LEU  86          HD21      LEU  86  41.222  34.213  27.160
  670   HD22  LEU  86          HD22      LEU  86  42.185  33.677  28.555
  671   HD23  LEU  86          HD23      LEU  86  42.918  33.781  26.935
  672    H    ASP  87           H        ASP  87  44.393  28.884  26.343
  673    HA   ASP  87           HA       ASP  87  45.627  27.605  28.617
  674    HB2  ASP  87           HB2      ASP  87  44.092  26.593  26.817
  675    HB3  ASP  87           HB3      ASP  87  45.518  26.558  25.778
  676    H    LYS  88           H        LYS  88  46.907  28.886  25.586
  677    HA   LYS  88           HA       LYS  88  49.692  28.152  26.007
  678    HB2  LYS  88           HB2      LYS  88  48.136  29.957  24.145
  679    HB3  LYS  88           HB3      LYS  88  49.866  30.197  24.285
  680    HG2  LYS  88           HG2      LYS  88  49.202  28.783  22.387
  681    HG3  LYS  88           HG3      LYS  88  50.402  28.060  23.453
  682    HD2  LYS  88           HD2      LYS  88  48.876  26.458  24.317
  683    HD3  LYS  88           HD3      LYS  88  47.466  27.328  23.715
  684    HE2  LYS  88           HE2      LYS  88  48.071  26.927  21.402
  685    HE3  LYS  88           HE3      LYS  88  49.611  26.206  21.878
  686    HZ1  LYS  88           HZ1      LYS  88  48.614  24.255  22.120
  687    HZ2  LYS  88           HZ2      LYS  88  47.506  24.816  23.157
  688    HZ3  LYS  88           HZ3      LYS  88  47.203  24.885  21.530
  689    H    GLU  89           H        GLU  89  47.858  31.165  26.583
  690    HA   GLU  89           HA       GLU  89  50.147  32.589  27.678
  691    HB2  GLU  89           HB2      GLU  89  47.170  33.150  27.595
  692    HB3  GLU  89           HB3      GLU  89  48.322  34.268  28.310
  693    HG2  GLU  89           HG2      GLU  89  48.725  33.301  25.456
  694    HG3  GLU  89           HG3      GLU  89  47.597  34.592  25.819
  695    H    GLY  90           H        GLY  90  48.362  30.123  29.060
  696    HA2  GLY  90           HA2      GLY  90  48.618  29.178  31.136
  697    HA3  GLY  90           HA3      GLY  90  49.691  30.510  31.568
  698    H    LYS  91           H        LYS  91  46.609  31.734  30.614
  699    HA   LYS  91           HA       LYS  91  45.946  32.334  33.442
  700    HB2  LYS  91           HB2      LYS  91  45.042  33.306  30.700
  701    HB3  LYS  91           HB3      LYS  91  44.186  33.720  32.177
  702    HG2  LYS  91           HG2      LYS  91  46.291  34.635  33.159
  703    HG3  LYS  91           HG3      LYS  91  47.137  34.300  31.645
  704    HD2  LYS  91           HD2      LYS  91  44.747  36.178  31.933
  705    HD3  LYS  91           HD3      LYS  91  46.447  36.671  31.937
  706    HE2  LYS  91           HE2      LYS  91  46.729  35.697  29.657
  707    HE3  LYS  91           HE3      LYS  91  44.997  35.321  29.625
  708    HZ1  LYS  91           HZ1      LYS  91  44.526  37.685  29.760
  709    HZ2  LYS  91           HZ2      LYS  91  46.140  38.049  29.906
  710    HZ3  LYS  91           HZ3      LYS  91  45.578  37.417  28.532
  711    H    LEU  92           H        LEU  92  44.960  30.092  30.965
  712    HA   LEU  92           HA       LEU  92  42.452  29.428  32.197
  713    HB2  LEU  92           HB2      LEU  92  43.239  28.944  29.850
  714    HB3  LEU  92           HB3      LEU  92  44.235  27.652  30.489
  715    HG   LEU  92           HG       LEU  92  42.366  26.338  31.102
  716   HD11  LEU  92          HD11      LEU  92  40.544  28.719  30.614
  717   HD12  LEU  92          HD12      LEU  92  40.009  27.043  30.911
  718   HD13  LEU  92          HD13      LEU  92  40.860  27.909  32.171
  719   HD21  LEU  92          HD21      LEU  92  41.009  26.260  28.975
  720   HD22  LEU  92          HD22      LEU  92  41.751  27.781  28.488
  721   HD23  LEU  92          HD23      LEU  92  42.763  26.343  28.697
  722    H    ASP  93           H        ASP  93  45.772  28.388  32.814
  723    HA   ASP  93           HA       ASP  93  45.187  26.353  34.783
  724    HB2  ASP  93           HB2      ASP  93  47.568  28.183  34.266
  725    HB3  ASP  93           HB3      ASP  93  47.503  27.054  35.597
  726    H    GLY  94           H        GLY  94  45.214  29.898  34.937
  727    HA2  GLY  94           HA2      GLY  94  45.077  30.078  37.845
  728    HA3  GLY  94           HA3      GLY  94  44.737  31.363  36.669
  729    H    LEU  95           H        LEU  95  42.758  29.891  35.199
  730    HA   LEU  95           HA       LEU  95  40.385  30.405  36.787
  731    HB2  LEU  95           HB2      LEU  95  40.923  29.327  34.001
  732    HB3  LEU  95           HB3      LEU  95  39.292  29.491  34.613
  733    HG   LEU  95           HG       LEU  95  41.226  31.845  34.469
  734   HD11  LEU  95          HD11      LEU  95  39.086  31.012  32.462
  735   HD12  LEU  95          HD12      LEU  95  40.036  32.512  32.428
  736   HD13  LEU  95          HD13      LEU  95  40.846  30.964  32.194
  737   HD21  LEU  95          HD21      LEU  95  39.291  32.144  35.996
  738   HD22  LEU  95          HD22      LEU  95  39.174  33.188  34.580
  739   HD23  LEU  95          HD23      LEU  95  38.184  31.721  34.664
  740    H    LEU  96           H        LEU  96  42.174  27.484  36.020
  741    HA   LEU  96           HA       LEU  96  39.972  25.718  36.937
  742    HB2  LEU  96           HB2      LEU  96  42.643  25.284  35.574
  743    HB3  LEU  96           HB3      LEU  96  41.666  23.914  36.083
  744    HG   LEU  96           HG       LEU  96  40.536  26.106  34.272
  745   HD11  LEU  96          HD11      LEU  96  42.537  25.093  33.276
  746   HD12  LEU  96          HD12      LEU  96  41.822  23.479  33.471
  747   HD13  LEU  96          HD13      LEU  96  41.060  24.710  32.406
  748   HD21  LEU  96          HD21      LEU  96  38.962  24.297  33.620
  749   HD22  LEU  96          HD22      LEU  96  39.713  23.222  34.830
  750   HD23  LEU  96          HD23      LEU  96  38.835  24.680  35.339
  751    H    SER  97           H        SER  97  42.856  27.006  38.254
  752    HA   SER  97           HA       SER  97  44.100  26.660  40.112
  753    HB2  SER  97           HB2      SER  97  41.394  25.955  41.271
  754    HB3  SER  97           HB3      SER  97  42.855  26.310  42.214
  755    HG   SER  97           HG       SER  97  41.246  27.999  40.652
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  16.289  33.726  37.047
    2    H2   GLY   1           H2       GLY   1  15.567  34.674  38.170
    3    H3   GLY   1           H3       GLY   1  17.025  35.119  37.536
    4    HA2  GLY   1           HA2      GLY   1  15.295  36.450  36.570
    5    HA3  GLY   1           HA3      GLY   1  16.022  35.386  35.347
    6    H    ALA   2           H        ALA   2  13.466  36.426  34.936
    7    HA   ALA   2           HA       ALA   2  11.347  34.850  36.016
    8    HB1  ALA   2           HB1      ALA   2   9.982  36.071  34.374
    9    HB2  ALA   2           HB2      ALA   2  11.111  37.156  35.201
   10    HB3  ALA   2           HB3      ALA   2  11.451  36.622  33.538
   11    H    MET   3           H        MET   3  13.341  34.281  33.146
   12    HA   MET   3           HA       MET   3  11.824  31.748  32.639
   13    HB2  MET   3           HB2      MET   3  11.314  33.402  30.892
   14    HB3  MET   3           HB3      MET   3  13.037  33.546  30.517
   15    HG2  MET   3           HG2      MET   3  13.093  31.112  29.960
   16    HG3  MET   3           HG3      MET   3  11.374  30.994  30.344
   17    HE1  MET   3           HE1      MET   3  12.834  30.010  27.652
   18    HE2  MET   3           HE2      MET   3  11.101  29.770  27.958
   19    HE3  MET   3           HE3      MET   3  11.642  30.499  26.429
   20    HA   PRO   4           HA       PRO   4  16.104  30.719  33.965
   21    HB2  PRO   4           HB2      PRO   4  14.645  28.110  34.395
   22    HB3  PRO   4           HB3      PRO   4  15.911  28.878  35.408
   23    HG2  PRO   4           HG2      PRO   4  13.315  29.064  36.113
   24    HG3  PRO   4           HG3      PRO   4  14.365  30.520  36.211
   25    HD2  PRO   4           HD2      PRO   4  12.368  29.800  34.077
   26    HD3  PRO   4           HD3      PRO   4  12.679  31.370  34.872
   27    H    SER   5           H        SER   5  17.737  29.529  33.012
   28    HA   SER   5           HA       SER   5  17.146  27.911  30.599
   29    HB2  SER   5           HB2      SER   5  18.461  29.327  29.186
   30    HB3  SER   5           HB3      SER   5  17.124  30.262  29.769
   31    HG   SER   5           HG       SER   5  19.150  31.369  29.846
   32    H    ILE   6           H        ILE   6  19.574  27.974  29.437
   33    HA   ILE   6           HA       ILE   6  20.965  25.910  30.653
   34    HB   ILE   6           HB       ILE   6  22.554  26.062  28.971
   35   HG12  ILE   6          HG12      ILE   6  21.743  28.945  28.526
   36   HG13  ILE   6          HG13      ILE   6  23.328  28.319  28.950
   37   HG21  ILE   6          HG21      ILE   6  20.012  27.086  27.706
   38   HG22  ILE   6          HG22      ILE   6  21.194  25.902  27.108
   39   HG23  ILE   6          HG23      ILE   6  20.162  25.488  28.489
   40   HD11  ILE   6          HD11      ILE   6  23.338  28.940  26.610
   41   HD12  ILE   6          HD12      ILE   6  23.413  27.164  26.697
   42   HD13  ILE   6          HD13      ILE   6  21.896  27.961  26.286
   43    H    ALA   7           H        ALA   7  21.392  29.321  31.138
   44    HA   ALA   7           HA       ALA   7  23.949  29.637  32.143
   45    HB1  ALA   7           HB1      ALA   7  22.295  31.421  31.740
   46    HB2  ALA   7           HB2      ALA   7  21.363  30.882  33.156
   47    HB3  ALA   7           HB3      ALA   7  22.998  31.541  33.364
   48    H    SER   8           H        SER   8  21.176  28.157  33.855
   49    HA   SER   8           HA       SER   8  22.354  27.875  36.470
   50    HB2  SER   8           HB2      SER   8  20.331  26.118  35.020
   51    HB3  SER   8           HB3      SER   8  20.587  26.206  36.779
   52    HG   SER   8           HG       SER   8  18.857  27.466  36.283
   53    H    MET   9           H        MET   9  22.514  25.823  33.555
   54    HA   MET   9           HA       MET   9  23.711  23.490  34.787
   55    HB2  MET   9           HB2      MET   9  24.016  24.373  31.889
   56    HB3  MET   9           HB3      MET   9  24.104  22.744  32.539
   57    HG2  MET   9           HG2      MET   9  21.695  22.748  32.967
   58    HG3  MET   9           HG3      MET   9  21.571  24.433  32.461
   59    HE1  MET   9           HE1      MET   9  19.666  22.621  29.606
   60    HE2  MET   9           HE2      MET   9  19.678  22.229  31.340
   61    HE3  MET   9           HE3      MET   9  19.623  23.925  30.814
   62    H    ILE  10           H        ILE  10  24.917  26.468  33.343
   63    HA   ILE  10           HA       ILE  10  27.605  25.766  32.892
   64    HB   ILE  10           HB       ILE  10  26.709  28.574  33.439
   65   HG12  ILE  10          HG12      ILE  10  26.201  26.647  31.151
   66   HG13  ILE  10          HG13      ILE  10  25.118  27.777  31.994
   67   HG21  ILE  10          HG21      ILE  10  28.495  28.992  31.724
   68   HG22  ILE  10          HG22      ILE  10  29.118  28.260  33.197
   69   HG23  ILE  10          HG23      ILE  10  28.899  27.272  31.745
   70   HD11  ILE  10          HD11      ILE  10  25.399  28.506  29.803
   71   HD12  ILE  10          HD12      ILE  10  26.249  29.637  30.901
   72   HD13  ILE  10          HD13      ILE  10  27.174  28.420  29.955
   73    H    LYS  11           H        LYS  11  25.999  26.672  35.811
   74    HA   LYS  11           HA       LYS  11  28.368  27.148  37.447
   75    HB2  LYS  11           HB2      LYS  11  25.474  26.696  38.204
   76    HB3  LYS  11           HB3      LYS  11  26.770  27.317  39.244
   77    HG2  LYS  11           HG2      LYS  11  27.031  29.277  37.675
   78    HG3  LYS  11           HG3      LYS  11  25.631  28.673  36.752
   79    HD2  LYS  11           HD2      LYS  11  24.306  28.670  38.859
   80    HD3  LYS  11           HD3      LYS  11  25.706  29.413  39.675
   81    HE2  LYS  11           HE2      LYS  11  25.542  31.330  38.022
   82    HE3  LYS  11           HE3      LYS  11  24.053  30.614  37.392
   83    HZ1  LYS  11           HZ1      LYS  11  23.629  32.341  39.070
   84    HZ2  LYS  11           HZ2      LYS  11  23.066  30.892  39.617
   85    HZ3  LYS  11           HZ3      LYS  11  24.486  31.525  40.182
   86    H    GLY  12           H        GLY  12  26.994  24.274  36.250
   87    HA2  GLY  12           HA2      GLY  12  27.154  22.575  38.563
   88    HA3  GLY  12           HA3      GLY  12  26.968  22.078  36.882
   89    H    ASN  13           H        ASN  13  29.472  23.467  36.085
   90    HA   ASN  13           HA       ASN  13  31.680  21.892  37.319
   91    HB2  ASN  13           HB2      ASN  13  30.785  21.855  34.391
   92    HB3  ASN  13           HB3      ASN  13  32.421  21.435  34.882
   93   HD21  ASN  13          HD21      ASN  13  32.670  19.710  36.540
   94   HD22  ASN  13          HD22      ASN  13  31.492  18.384  36.494
   95    H    LYS  14           H        LYS  14  33.815  22.655  36.543
   96    HA   LYS  14           HA       LYS  14  34.030  25.556  36.703
   97    HB2  LYS  14           HB2      LYS  14  35.750  23.745  37.345
   98    HB3  LYS  14           HB3      LYS  14  36.101  23.623  35.631
   99    HG2  LYS  14           HG2      LYS  14  37.738  25.103  36.132
  100    HG3  LYS  14           HG3      LYS  14  36.453  26.242  35.747
  101    HD2  LYS  14           HD2      LYS  14  37.470  27.036  37.733
  102    HD3  LYS  14           HD3      LYS  14  35.927  26.315  38.231
  103    HE2  LYS  14           HE2      LYS  14  37.132  24.225  38.855
  104    HE3  LYS  14           HE3      LYS  14  38.661  24.949  38.370
  105    HZ1  LYS  14           HZ1      LYS  14  38.409  26.564  40.188
  106    HZ2  LYS  14           HZ2      LYS  14  36.934  25.952  40.577
  107    HZ3  LYS  14           HZ3      LYS  14  38.270  25.024  40.749
  108    H    VAL  15           H        VAL  15  34.109  23.236  33.999
  109    HA   VAL  15           HA       VAL  15  33.700  25.474  32.074
  110    HB   VAL  15           HB       VAL  15  35.265  22.923  31.567
  111   HG11  VAL  15          HG11      VAL  15  35.965  24.039  29.485
  112   HG12  VAL  15          HG12      VAL  15  34.218  23.803  29.518
  113   HG13  VAL  15          HG13      VAL  15  34.899  25.408  29.845
  114   HG21  VAL  15          HG21      VAL  15  36.641  24.215  33.005
  115   HG22  VAL  15          HG22      VAL  15  37.199  24.623  31.375
  116   HG23  VAL  15          HG23      VAL  15  36.149  25.743  32.254
  117    H    VAL  16           H        VAL  16  32.064  25.309  30.649
  118    HA   VAL  16           HA       VAL  16  30.694  22.684  30.279
  119    HB   VAL  16           HB       VAL  16  29.266  25.271  30.911
  120   HG11  VAL  16          HG11      VAL  16  27.996  24.079  29.175
  121   HG12  VAL  16          HG12      VAL  16  28.141  22.556  30.086
  122   HG13  VAL  16          HG13      VAL  16  27.188  23.909  30.731
  123   HG21  VAL  16          HG21      VAL  16  30.021  24.167  32.942
  124   HG22  VAL  16          HG22      VAL  16  28.312  23.755  32.766
  125   HG23  VAL  16          HG23      VAL  16  29.540  22.572  32.321
  126    H    VAL  17           H        VAL  17  30.102  22.237  28.208
  127    HA   VAL  17           HA       VAL  17  30.646  24.315  26.114
  128    HB   VAL  17           HB       VAL  17  31.603  21.432  26.303
  129   HG11  VAL  17          HG11      VAL  17  31.934  23.383  23.983
  130   HG12  VAL  17          HG12      VAL  17  32.708  21.783  24.134
  131   HG13  VAL  17          HG13      VAL  17  30.962  21.890  23.959
  132   HG21  VAL  17          HG21      VAL  17  33.012  22.948  27.547
  133   HG22  VAL  17          HG22      VAL  17  33.836  22.533  26.041
  134   HG23  VAL  17          HG23      VAL  17  33.037  24.109  26.203
  135    H    PHE  18           H        PHE  18  29.292  24.431  24.391
  136    HA   PHE  18           HA       PHE  18  27.054  22.442  24.228
  137    HB2  PHE  18           HB2      PHE  18  26.954  25.389  23.570
  138    HB3  PHE  18           HB3      PHE  18  25.637  24.245  23.415
  139    HD1  PHE  18           HD1      PHE  18  24.438  23.397  25.417
  140    HD2  PHE  18           HD2      PHE  18  27.629  26.269  25.752
  141    HE1  PHE  18           HE1      PHE  18  23.641  24.022  27.691
  142    HE2  PHE  18           HE2      PHE  18  26.823  26.903  28.013
  143    HZ   PHE  18           HZ       PHE  18  24.803  25.822  28.965
  144    H    SER  19           H        SER  19  26.884  21.344  22.446
  145    HA   SER  19           HA       SER  19  28.555  22.042  20.053
  146    HB2  SER  19           HB2      SER  19  28.379  19.390  21.529
  147    HB3  SER  19           HB3      SER  19  29.432  19.788  20.156
  148    HG   SER  19           HG       SER  19  30.696  20.150  21.846
  149    H    TRP  20           H        TRP  20  28.267  20.469  18.161
  150    HA   TRP  20           HA       TRP  20  25.458  19.431  18.006
  151    HB2  TRP  20           HB2      TRP  20  26.421  21.751  16.629
  152    HB3  TRP  20           HB3      TRP  20  26.191  20.486  15.446
  153    HD1  TRP  20           HD1      TRP  20  23.956  21.214  18.518
  154    HE1  TRP  20           HE1      TRP  20  21.552  21.822  17.680
  155    HE3  TRP  20           HE3      TRP  20  24.742  21.010  13.464
  156    HZ2  TRP  20           HZ2      TRP  20  20.295  22.398  15.199
  157    HZ3  TRP  20           HZ3      TRP  20  22.959  21.715  11.880
  158    HH2  TRP  20           HH2      TRP  20  20.735  22.422  12.736
  159    H    VAL  21           H        VAL  21  25.089  17.601  16.801
  160    HA   VAL  21           HA       VAL  21  27.496  15.986  16.303
  161    HB   VAL  21           HB       VAL  21  24.593  15.166  16.033
  162   HG11  VAL  21          HG11      VAL  21  26.182  13.698  14.814
  163   HG12  VAL  21          HG12      VAL  21  27.171  13.546  16.280
  164   HG13  VAL  21          HG13      VAL  21  25.525  12.881  16.233
  165   HG21  VAL  21          HG21      VAL  21  25.004  15.800  18.363
  166   HG22  VAL  21          HG22      VAL  21  24.911  14.046  18.213
  167   HG23  VAL  21          HG23      VAL  21  26.496  14.828  18.385
  168    H    THR  22           H        THR  22  27.360  16.217  12.686
  169    HA   THR  22           HA       THR  22  29.082  15.983  15.135
  170    HB   THR  22           HB       THR  22  29.653  15.117  12.291
  171    HG1  THR  22           HG1      THR  22  28.266  13.691  13.061
  172   HG21  THR  22          HG21      THR  22  31.537  13.883  13.345
  173   HG22  THR  22          HG22      THR  22  31.183  14.673  14.896
  174   HG23  THR  22          HG23      THR  22  31.736  15.631  13.500
  175    H    CYS  23           H        CYS  23  30.847  17.390  15.404
  176    HA   CYS  23           HA       CYS  23  31.049  19.656  13.449
  177    HB2  CYS  23           HB2      CYS  23  30.649  19.758  16.434
  178    HB3  CYS  23           HB3      CYS  23  31.468  21.049  15.534
  179    HG   CYS  23           HG       CYS  23  28.484  19.764  15.176
  180    HA   PRO  24           HA       PRO  24  35.155  17.842  13.691
  181    HB2  PRO  24           HB2      PRO  24  35.611  20.079  11.707
  182    HB3  PRO  24           HB3      PRO  24  36.250  18.404  11.691
  183    HG2  PRO  24           HG2      PRO  24  34.108  18.995  10.165
  184    HG3  PRO  24           HG3      PRO  24  34.094  17.499  11.156
  185    HD2  PRO  24           HD2      PRO  24  32.830  20.184  11.776
  186    HD3  PRO  24           HD3      PRO  24  32.138  18.538  11.923
  187    H    TYR  25           H        TYR  25  34.341  21.093  14.663
  188    HA   TYR  25           HA       TYR  25  36.937  21.486  16.011
  189    HB2  TYR  25           HB2      TYR  25  34.257  22.935  16.113
  190    HB3  TYR  25           HB3      TYR  25  35.591  23.354  17.151
  191    HD1  TYR  25           HD2      TYR  25  37.998  23.418  15.706
  192    HD2  TYR  25           HD1      TYR  25  34.065  24.658  14.444
  193    HE1  TYR  25           HE2      TYR  25  39.016  25.014  14.092
  194    HE2  TYR  25           HE1      TYR  25  35.086  26.225  12.807
  195    HH   TYR  25           HH       TYR  25  37.036  26.910  11.804
  196    H    CYS  26           H        CYS  26  33.698  20.222  17.051
  197    HA   CYS  26           HA       CYS  26  34.323  20.638  19.800
  198    HB2  CYS  26           HB2      CYS  26  32.085  20.435  18.936
  199    HB3  CYS  26           HB3      CYS  26  32.289  18.704  18.606
  200    HG   CYS  26           HG       CYS  26  32.897  17.980  21.071
  201    H    VAL  27           H        VAL  27  34.934  17.830  17.755
  202    HA   VAL  27           HA       VAL  27  36.080  15.975  19.477
  203    HB   VAL  27           HB       VAL  27  35.964  15.685  17.288
  204   HG11  VAL  27          HG11      VAL  27  37.902  17.575  16.286
  205   HG12  VAL  27          HG12      VAL  27  36.907  16.407  15.416
  206   HG13  VAL  27          HG13      VAL  27  36.098  17.706  16.267
  207   HG21  VAL  27          HG21      VAL  27  38.949  15.672  17.819
  208   HG22  VAL  27          HG22      VAL  27  37.806  14.446  18.411
  209   HG23  VAL  27          HG23      VAL  27  38.095  14.618  16.669
  210    H    ARG  28           H        ARG  28  37.655  18.314  17.832
  211    HA   ARG  28           HA       ARG  28  40.234  18.421  19.043
  212    HB2  ARG  28           HB2      ARG  28  39.106  21.109  18.222
  213    HB3  ARG  28           HB3      ARG  28  40.762  20.520  18.168
  214    HG2  ARG  28           HG2      ARG  28  39.995  18.893  16.344
  215    HG3  ARG  28           HG3      ARG  28  38.462  19.796  16.370
  216    HD2  ARG  28           HD2      ARG  28  39.772  21.904  15.983
  217    HD3  ARG  28           HD3      ARG  28  41.220  20.901  15.757
  218    HE   ARG  28           HE       ARG  28  39.341  19.859  13.978
  219   HH11  ARG  28          HH22      ARG  28  40.874  22.966  14.389
  220   HH12  ARG  28          HH21      ARG  28  40.629  23.426  12.717
  221   HH21  ARG  28          HH12      ARG  28  39.142  20.423  11.821
  222   HH22  ARG  28          HH11      ARG  28  39.835  21.925  11.283
  223    H    ALA  29           H        ALA  29  37.443  20.340  20.087
  224    HA   ALA  29           HA       ALA  29  38.729  21.539  22.375
  225    HB1  ALA  29           HB1      ALA  29  36.459  22.172  23.032
  226    HB2  ALA  29           HB2      ALA  29  36.706  22.467  21.299
  227    HB3  ALA  29           HB3      ALA  29  35.767  21.057  21.837
  228    H    GLU  30           H        GLU  30  36.533  18.667  22.149
  229    HA   GLU  30           HA       GLU  30  36.708  17.872  24.886
  230    HB2  GLU  30           HB2      GLU  30  36.227  16.261  22.328
  231    HB3  GLU  30           HB3      GLU  30  36.065  15.601  23.956
  232    HG2  GLU  30           HG2      GLU  30  34.299  17.247  24.475
  233    HG3  GLU  30           HG3      GLU  30  34.393  17.913  22.848
  234    H    LYS  31           H        LYS  31  39.045  17.342  22.287
  235    HA   LYS  31           HA       LYS  31  40.705  15.583  23.878
  236    HB2  LYS  31           HB2      LYS  31  40.852  15.541  21.466
  237    HB3  LYS  31           HB3      LYS  31  41.057  17.283  21.378
  238    HG2  LYS  31           HG2      LYS  31  43.332  17.050  22.431
  239    HG3  LYS  31           HG3      LYS  31  43.099  15.292  22.436
  240    HD2  LYS  31           HD2      LYS  31  44.402  15.892  20.500
  241    HD3  LYS  31           HD3      LYS  31  42.785  15.376  19.961
  242    HE2  LYS  31           HE2      LYS  31  42.124  17.515  19.356
  243    HE3  LYS  31           HE3      LYS  31  43.312  18.303  20.425
  244    HZ1  LYS  31           HZ1      LYS  31  43.945  18.493  18.070
  245    HZ2  LYS  31           HZ2      LYS  31  45.068  17.637  18.880
  246    HZ3  LYS  31           HZ3      LYS  31  43.993  16.851  17.925
  247    H    LEU  32           H        LEU  32  40.956  19.072  23.144
  248    HA   LEU  32           HA       LEU  32  43.247  19.629  24.697
  249    HB2  LEU  32           HB2      LEU  32  41.970  21.004  22.961
  250    HB3  LEU  32           HB3      LEU  32  40.834  21.384  24.241
  251    HG   LEU  32           HG       LEU  32  42.440  23.166  23.660
  252   HD11  LEU  32          HD11      LEU  32  42.943  23.965  25.829
  253   HD12  LEU  32          HD12      LEU  32  41.412  23.076  25.949
  254   HD13  LEU  32          HD13      LEU  32  42.930  22.344  26.530
  255   HD21  LEU  32          HD21      LEU  32  44.391  21.732  23.199
  256   HD22  LEU  32          HD22      LEU  32  44.772  23.072  24.288
  257   HD23  LEU  32          HD23      LEU  32  44.585  21.435  24.942
  258    H    LEU  33           H        LEU  33  39.812  19.826  25.597
  259    HA   LEU  33           HA       LEU  33  40.193  21.008  28.141
  260    HB2  LEU  33           HB2      LEU  33  37.922  19.396  26.886
  261    HB3  LEU  33           HB3      LEU  33  37.734  20.238  28.411
  262    HG   LEU  33           HG       LEU  33  38.547  21.606  25.812
  263   HD11  LEU  33          HD11      LEU  33  35.815  21.780  27.036
  264   HD12  LEU  33          HD12      LEU  33  36.384  22.434  25.501
  265   HD13  LEU  33          HD13      LEU  33  36.231  20.681  25.693
  266   HD21  LEU  33          HD21      LEU  33  37.648  22.686  28.508
  267   HD22  LEU  33          HD22      LEU  33  39.232  22.934  27.726
  268   HD23  LEU  33          HD23      LEU  33  37.779  23.677  27.047
  269    H    HIS  34           H        HIS  34  39.918  17.603  27.233
  270    HA   HIS  34           HA       HIS  34  40.215  16.607  29.956
  271    HB2  HIS  34           HB2      HIS  34  40.062  15.302  27.222
  272    HB3  HIS  34           HB3      HIS  34  40.464  14.400  28.679
  273    HD1  HIS  34           HD1      HIS  34  38.407  13.220  29.667
  274    HD2  HIS  34           HD2      HIS  34  37.486  16.784  27.648
  275    HE1  HIS  34           HE1      HIS  34  35.910  13.546  29.912
  276    H    ALA  35           H        ALA  35  42.423  17.396  27.240
  277    HA   ALA  35           HA       ALA  35  44.688  15.965  28.371
  278    HB1  ALA  35           HB1      ALA  35  44.479  16.574  25.981
  279    HB2  ALA  35           HB2      ALA  35  44.558  18.296  26.404
  280    HB3  ALA  35           HB3      ALA  35  45.956  17.248  26.702
  281    H    ARG  36           H        ARG  36  43.448  19.238  28.704
  282    HA   ARG  36           HA       ARG  36  45.755  20.064  30.413
  283    HB2  ARG  36           HB2      ARG  36  43.848  21.541  28.595
  284    HB3  ARG  36           HB3      ARG  36  44.895  22.359  29.732
  285    HG2  ARG  36           HG2      ARG  36  45.998  20.460  27.629
  286    HG3  ARG  36           HG3      ARG  36  45.793  22.186  27.339
  287    HD2  ARG  36           HD2      ARG  36  47.442  21.054  29.637
  288    HD3  ARG  36           HD3      ARG  36  48.116  21.495  28.062
  289    HE   ARG  36           HE       ARG  36  47.068  23.831  28.545
  290   HH11  ARG  36          HH22      ARG  36  48.891  21.974  30.924
  291   HH12  ARG  36          HH21      ARG  36  49.267  23.435  31.805
  292   HH21  ARG  36          HH12      ARG  36  47.281  25.431  29.827
  293   HH22  ARG  36          HH11      ARG  36  48.367  25.395  31.218
  294    H    THR  37           H        THR  37  43.280  18.772  31.231
  295    HA   THR  37           HA       THR  37  42.176  18.499  33.228
  296    HB   THR  37           HB       THR  37  43.525  20.651  34.672
  297    HG1  THR  37           HG1      THR  37  45.519  19.822  34.556
  298   HG21  THR  37          HG21      THR  37  42.248  18.805  35.811
  299   HG22  THR  37          HG22      THR  37  43.936  18.880  36.334
  300   HG23  THR  37          HG23      THR  37  43.415  17.631  35.181
  301    H    LYS  38           H        LYS  38  40.928  20.343  31.422
  302    HA   LYS  38           HA       LYS  38  39.587  22.289  33.244
  303    HB2  LYS  38           HB2      LYS  38  39.118  21.424  30.368
  304    HB3  LYS  38           HB3      LYS  38  37.936  22.301  31.323
  305    HG2  LYS  38           HG2      LYS  38  39.125  23.906  30.000
  306    HG3  LYS  38           HG3      LYS  38  39.578  24.161  31.661
  307    HD2  LYS  38           HD2      LYS  38  41.488  22.408  30.180
  308    HD3  LYS  38           HD3      LYS  38  41.273  24.002  29.456
  309    HE2  LYS  38           HE2      LYS  38  41.672  25.034  31.746
  310    HE3  LYS  38           HE3      LYS  38  42.061  23.401  32.315
  311    HZ1  LYS  38           HZ1      LYS  38  43.636  24.779  30.173
  312    HZ2  LYS  38           HZ2      LYS  38  44.066  24.673  31.756
  313    HZ3  LYS  38           HZ3      LYS  38  43.948  23.335  30.939
  314    H    ASP  39           H        ASP  39  38.569  21.340  34.874
  315    HA   ASP  39           HA       ASP  39  36.932  19.030  34.718
  316    HB2  ASP  39           HB2      ASP  39  37.359  20.060  36.883
  317    HB3  ASP  39           HB3      ASP  39  36.562  21.551  36.384
  318    H    ILE  40           H        ILE  40  35.750  18.712  33.057
  319    HA   ILE  40           HA       ILE  40  34.067  20.874  31.945
  320    HB   ILE  40           HB       ILE  40  36.201  20.425  30.848
  321   HG12  ILE  40          HG12      ILE  40  33.699  20.916  29.655
  322   HG13  ILE  40          HG13      ILE  40  35.285  21.380  29.143
  323   HG21  ILE  40          HG21      ILE  40  35.074  17.716  30.038
  324   HG22  ILE  40          HG22      ILE  40  36.623  18.426  29.542
  325   HG23  ILE  40          HG23      ILE  40  36.354  17.985  31.218
  326   HD11  ILE  40          HD11      ILE  40  33.924  18.776  28.328
  327   HD12  ILE  40          HD12      ILE  40  33.984  20.255  27.358
  328   HD13  ILE  40          HD13      ILE  40  35.486  19.392  27.713
  329    H    THR  41           H        THR  41  32.137  20.568  31.095
  330    HA   THR  41           HA       THR  41  31.045  17.826  30.669
  331    HB   THR  41           HB       THR  41  29.960  20.046  32.365
  332    HG1  THR  41           HG1      THR  41  29.853  18.490  33.710
  333   HG21  THR  41          HG21      THR  41  28.147  19.928  30.799
  334   HG22  THR  41          HG22      THR  41  27.683  19.063  32.270
  335   HG23  THR  41          HG23      THR  41  28.162  18.139  30.826
  336    H    VAL  42           H        VAL  42  30.268  17.595  28.603
  337    HA   VAL  42           HA       VAL  42  29.480  20.025  27.112
  338    HB   VAL  42           HB       VAL  42  31.201  19.456  25.916
  339   HG11  VAL  42          HG11      VAL  42  32.167  17.827  27.132
  340   HG12  VAL  42          HG12      VAL  42  30.999  16.572  26.578
  341   HG13  VAL  42          HG13      VAL  42  32.174  17.311  25.452
  342   HG21  VAL  42          HG21      VAL  42  30.721  18.292  23.862
  343   HG22  VAL  42          HG22      VAL  42  29.333  17.479  24.605
  344   HG23  VAL  42          HG23      VAL  42  29.314  19.245  24.344
  345    H    HIS  43           H        HIS  43  27.660  20.235  26.184
  346    HA   HIS  43           HA       HIS  43  25.652  18.033  26.224
  347    HB2  HIS  43           HB2      HIS  43  25.445  20.164  27.720
  348    HB3  HIS  43           HB3      HIS  43  25.070  21.012  26.239
  349    HD1  HIS  43           HD1      HIS  43  23.608  17.481  27.002
  350    HD2  HIS  43           HD2      HIS  43  22.634  21.568  27.249
  351    HE1  HIS  43           HE1      HIS  43  21.114  17.605  27.477
  352    H    TYR  44           H        TYR  44  25.356  17.222  24.206
  353    HA   TYR  44           HA       TYR  44  25.792  18.871  21.757
  354    HB2  TYR  44           HB2      TYR  44  25.334  15.930  22.275
  355    HB3  TYR  44           HB3      TYR  44  25.063  16.666  20.706
  356    HD1  TYR  44           HD2      TYR  44  27.766  15.977  23.189
  357    HD2  TYR  44           HD1      TYR  44  26.725  17.472  19.314
  358    HE1  TYR  44           HE2      TYR  44  30.176  15.862  22.504
  359    HE2  TYR  44           HE1      TYR  44  29.106  17.267  18.572
  360    HH   TYR  44           HH       TYR  44  31.705  16.177  20.767
  361    H    VAL  45           H        VAL  45  24.187  20.336  21.561
  362    HA   VAL  45           HA       VAL  45  21.479  19.764  22.412
  363    HB   VAL  45           HB       VAL  45  20.911  22.022  21.563
  364   HG11  VAL  45          HG11      VAL  45  21.741  21.585  23.879
  365   HG12  VAL  45          HG12      VAL  45  23.400  21.893  23.334
  366   HG13  VAL  45          HG13      VAL  45  22.191  23.192  23.286
  367   HG21  VAL  45          HG21      VAL  45  23.846  22.212  20.794
  368   HG22  VAL  45          HG22      VAL  45  22.413  22.355  19.732
  369   HG23  VAL  45          HG23      VAL  45  22.729  23.571  20.963
  370    H    ASP  46           H        ASP  46  22.976  18.916  19.509
  371    HA   ASP  46           HA       ASP  46  20.548  18.828  17.892
  372    HB2  ASP  46           HB2      ASP  46  22.885  18.773  16.969
  373    HB3  ASP  46           HB3      ASP  46  23.083  17.166  17.656
  374    H    LYS  47           H        LYS  47  21.673  16.911  20.601
  375    HA   LYS  47           HA       LYS  47  20.522  14.368  19.754
  376    HB2  LYS  47           HB2      LYS  47  21.697  15.243  22.397
  377    HB3  LYS  47           HB3      LYS  47  21.168  13.623  21.999
  378    HG2  LYS  47           HG2      LYS  47  22.772  13.994  19.852
  379    HG3  LYS  47           HG3      LYS  47  23.552  15.098  20.990
  380    HD2  LYS  47           HD2      LYS  47  23.505  13.150  22.672
  381    HD3  LYS  47           HD3      LYS  47  22.951  12.154  21.308
  382    HE2  LYS  47           HE2      LYS  47  25.090  12.800  20.089
  383    HE3  LYS  47           HE3      LYS  47  25.621  13.613  21.568
  384    HZ1  LYS  47           HZ1      LYS  47  25.068  10.703  21.277
  385    HZ2  LYS  47           HZ2      LYS  47  26.530  11.399  21.544
  386    HZ3  LYS  47           HZ3      LYS  47  25.381  11.411  22.708
  387    H    MET  48           H        MET  48  18.952  17.079  21.197
  388    HA   MET  48           HA       MET  48  16.562  15.447  21.743
  389    HB2  MET  48           HB2      MET  48  16.264  16.153  24.016
  390    HB3  MET  48           HB3      MET  48  17.833  15.366  23.879
  391    HG2  MET  48           HG2      MET  48  18.944  17.571  23.888
  392    HG3  MET  48           HG3      MET  48  17.367  18.377  23.913
  393    HE1  MET  48           HE1      MET  48  18.500  19.283  27.450
  394    HE2  MET  48           HE2      MET  48  19.312  19.366  25.870
  395    HE3  MET  48           HE3      MET  48  17.602  19.822  26.013
  396    H    SER  49           H        SER  49  14.600  16.684  22.149
  397    HA   SER  49           HA       SER  49  14.264  18.699  20.230
  398    HB2  SER  49           HB2      SER  49  12.437  18.069  22.567
  399    HB3  SER  49           HB3      SER  49  11.987  18.923  21.083
  400    HG   SER  49           HG       SER  49  11.550  16.584  21.207
  401    H    GLU  50           H        GLU  50  14.496  19.265  23.830
  402    HA   GLU  50           HA       GLU  50  14.002  22.046  23.561
  403    HB2  GLU  50           HB2      GLU  50  14.357  20.388  25.739
  404    HB3  GLU  50           HB3      GLU  50  15.871  21.305  25.761
  405    HG2  GLU  50           HG2      GLU  50  14.395  22.547  27.106
  406    HG3  GLU  50           HG3      GLU  50  14.422  23.434  25.585
  407    H    GLY  51           H        GLY  51  16.814  20.431  22.535
  408    HA2  GLY  51           HA2      GLY  51  18.940  22.136  23.091
  409    HA3  GLY  51           HA3      GLY  51  18.752  21.164  21.640
  410    H    GLU  52           H        GLU  52  16.346  22.729  20.706
  411    HA   GLU  52           HA       GLU  52  17.752  24.859  19.291
  412    HB2  GLU  52           HB2      GLU  52  14.847  24.002  19.528
  413    HB3  GLU  52           HB3      GLU  52  15.310  25.466  18.655
  414    HG2  GLU  52           HG2      GLU  52  16.411  22.708  18.027
  415    HG3  GLU  52           HG3      GLU  52  15.045  23.461  17.193
  416    H    GLN  53           H        GLN  53  15.738  24.799  22.212
  417    HA   GLN  53           HA       GLN  53  15.571  27.708  22.446
  418    HB2  GLN  53           HB2      GLN  53  13.880  26.136  23.219
  419    HB3  GLN  53           HB3      GLN  53  14.987  25.459  24.414
  420    HG2  GLN  53           HG2      GLN  53  14.979  27.473  25.702
  421    HG3  GLN  53           HG3      GLN  53  14.209  28.397  24.412
  422   HE21  GLN  53          HE21      GLN  53  13.412  27.312  27.392
  423   HE22  GLN  53          HE22      GLN  53  11.768  26.742  27.047
  424    H    LEU  54           H        LEU  54  17.601  25.102  23.812
  425    HA   LEU  54           HA       LEU  54  19.273  26.787  25.449
  426    HB2  LEU  54           HB2      LEU  54  19.831  24.137  24.063
  427    HB3  LEU  54           HB3      LEU  54  20.925  24.884  25.173
  428    HG   LEU  54           HG       LEU  54  20.010  23.951  26.926
  429   HD11  LEU  54          HD11      LEU  54  17.142  24.519  26.131
  430   HD12  LEU  54          HD12      LEU  54  17.771  24.041  27.723
  431   HD13  LEU  54          HD13      LEU  54  18.156  25.630  27.085
  432   HD21  LEU  54          HD21      LEU  54  18.142  22.464  25.148
  433   HD22  LEU  54          HD22      LEU  54  19.869  22.085  25.403
  434   HD23  LEU  54          HD23      LEU  54  18.732  22.011  26.756
  435    H    ARG  55           H        ARG  55  19.588  25.772  21.980
  436    HA   ARG  55           HA       ARG  55  22.016  27.159  21.420
  437    HB2  ARG  55           HB2      ARG  55  21.160  25.188  20.301
  438    HB3  ARG  55           HB3      ARG  55  19.662  26.011  19.864
  439    HG2  ARG  55           HG2      ARG  55  20.686  27.329  18.296
  440    HG3  ARG  55           HG3      ARG  55  22.347  26.845  18.766
  441    HD2  ARG  55           HD2      ARG  55  21.816  24.489  18.153
  442    HD3  ARG  55           HD3      ARG  55  20.201  24.947  17.668
  443    HE   ARG  55           HE       ARG  55  22.761  25.798  16.310
  444   HH11  ARG  55          HH12      ARG  55  19.324  24.965  15.786
  445   HH12  ARG  55          HH11      ARG  55  19.554  25.227  14.067
  446   HH21  ARG  55          HH22      ARG  55  22.827  26.102  14.218
  447   HH22  ARG  55          HH21      ARG  55  21.359  26.043  13.248
  448    H    GLY  56           H        GLY  56  18.604  28.146  21.386
  449    HA2  GLY  56           HA2      GLY  56  18.906  30.696  20.128
  450    HA3  GLY  56           HA3      GLY  56  17.608  30.200  21.224
  451    H    GLU  57           H        GLU  57  19.160  29.750  23.622
  452    HA   GLU  57           HA       GLU  57  19.420  32.367  24.697
  453    HB2  GLU  57           HB2      GLU  57  20.254  29.621  25.541
  454    HB3  GLU  57           HB3      GLU  57  21.073  30.949  26.339
  455    HG2  GLU  57           HG2      GLU  57  18.048  30.587  26.316
  456    HG3  GLU  57           HG3      GLU  57  19.200  30.101  27.531
  457    H    ILE  58           H        ILE  58  21.877  30.210  23.330
  458    HA   ILE  58           HA       ILE  58  24.154  31.892  23.860
  459    HB   ILE  58           HB       ILE  58  23.871  29.721  21.745
  460   HG12  ILE  58          HG12      ILE  58  24.864  29.401  24.620
  461   HG13  ILE  58          HG13      ILE  58  23.269  28.910  24.069
  462   HG21  ILE  58          HG21      ILE  58  26.388  30.665  23.203
  463   HG22  ILE  58          HG22      ILE  58  26.279  29.543  21.827
  464   HG23  ILE  58          HG23      ILE  58  25.915  31.241  21.595
  465   HD11  ILE  58          HD11      ILE  58  24.317  27.351  22.421
  466   HD12  ILE  58          HD12      ILE  58  25.893  27.712  23.168
  467   HD13  ILE  58          HD13      ILE  58  24.609  26.961  24.127
  468    H    TYR  59           H        TYR  59  22.061  31.442  20.932
  469    HA   TYR  59           HA       TYR  59  23.528  33.333  19.389
  470    HB2  TYR  59           HB2      TYR  59  21.725  31.574  18.668
  471    HB3  TYR  59           HB3      TYR  59  20.583  32.891  18.914
  472    HD1  TYR  59           HD2      TYR  59  20.896  35.060  17.527
  473    HD2  TYR  59           HD1      TYR  59  23.261  31.526  16.892
  474    HE1  TYR  59           HE2      TYR  59  21.688  35.965  15.328
  475    HE2  TYR  59           HE1      TYR  59  24.064  32.416  14.723
  476    HH   TYR  59           HH       TYR  59  23.974  34.177  13.246
  477    H    GLN  60           H        GLN  60  20.627  33.813  21.463
  478    HA   GLN  60           HA       GLN  60  20.178  36.518  20.780
  479    HB2  GLN  60           HB2      GLN  60  19.612  34.870  23.278
  480    HB3  GLN  60           HB3      GLN  60  19.108  36.555  23.158
  481    HG2  GLN  60           HG2      GLN  60  18.315  34.472  21.072
  482    HG3  GLN  60           HG3      GLN  60  17.360  34.814  22.515
  483   HE21  GLN  60          HE21      GLN  60  16.425  36.956  22.771
  484   HE22  GLN  60          HE22      GLN  60  16.230  38.002  21.346
  485    H    ALA  61           H        ALA  61  22.376  35.208  23.282
  486    HA   ALA  61           HA       ALA  61  23.223  37.901  24.088
  487    HB1  ALA  61           HB1      ALA  61  24.685  36.631  25.640
  488    HB2  ALA  61           HB2      ALA  61  22.978  36.161  25.756
  489    HB3  ALA  61           HB3      ALA  61  24.126  35.115  24.896
  490    H    TYR  62           H        TYR  62  24.739  35.208  22.195
  491    HA   TYR  62           HA       TYR  62  27.160  36.927  21.868
  492    HB2  TYR  62           HB2      TYR  62  27.062  33.913  21.786
  493    HB3  TYR  62           HB3      TYR  62  28.469  34.956  21.934
  494    HD1  TYR  62           HD1      TYR  62  28.503  36.556  24.073
  495    HD2  TYR  62           HD2      TYR  62  26.137  32.978  23.716
  496    HE1  TYR  62           HE1      TYR  62  28.206  36.505  26.546
  497    HE2  TYR  62           HE2      TYR  62  25.828  32.931  26.196
  498    HH   TYR  62           HH       TYR  62  27.246  35.439  28.305
  499    H    LYS  63           H        LYS  63  24.616  35.932  19.998
  500    HA   LYS  63           HA       LYS  63  24.194  35.497  17.854
  501    HB2  LYS  63           HB2      LYS  63  26.536  37.346  17.287
  502    HB3  LYS  63           HB3      LYS  63  25.226  36.965  16.174
  503    HG2  LYS  63           HG2      LYS  63  24.890  38.414  18.828
  504    HG3  LYS  63           HG3      LYS  63  25.000  39.178  17.244
  505    HD2  LYS  63           HD2      LYS  63  22.952  38.055  16.502
  506    HD3  LYS  63           HD3      LYS  63  22.780  37.249  18.052
  507    HE2  LYS  63           HE2      LYS  63  22.746  40.260  17.609
  508    HE3  LYS  63           HE3      LYS  63  21.322  39.242  17.821
  509    HZ1  LYS  63           HZ1      LYS  63  22.106  38.709  20.072
  510    HZ2  LYS  63           HZ2      LYS  63  23.438  39.684  19.860
  511    HZ3  LYS  63           HZ3      LYS  63  21.953  40.327  19.877
  512    H    HIS  64           H        HIS  64  25.815  33.534  19.037
  513    HA   HIS  64           HA       HIS  64  26.800  32.197  16.563
  514    HB2  HIS  64           HB2      HIS  64  27.991  31.966  19.361
  515    HB3  HIS  64           HB3      HIS  64  28.362  30.898  18.017
  516    HD1  HIS  64           HD1      HIS  64  28.959  34.584  19.055
  517    HD2  HIS  64           HD2      HIS  64  30.246  31.649  16.330
  518    HE1  HIS  64           HE1      HIS  64  31.162  35.416  18.099
  519    H    GLU  65           H        GLU  65  26.050  30.084  16.364
  520    HA   GLU  65           HA       GLU  65  24.153  29.112  18.490
  521    HB2  GLU  65           HB2      GLU  65  23.176  27.698  16.697
  522    HB3  GLU  65           HB3      GLU  65  22.870  29.408  16.609
  523    HG2  GLU  65           HG2      GLU  65  23.194  28.658  14.399
  524    HG3  GLU  65           HG3      GLU  65  24.601  29.625  14.809
  525    H    THR  66           H        THR  66  26.955  28.190  16.566
  526    HA   THR  66           HA       THR  66  27.899  26.667  18.820
  527    HB   THR  66           HB       THR  66  26.412  24.984  17.534
  528    HG1  THR  66           HG1      THR  66  27.647  24.292  19.108
  529   HG21  THR  66          HG21      THR  66  27.435  23.725  15.787
  530   HG22  THR  66          HG22      THR  66  28.920  24.680  15.855
  531   HG23  THR  66          HG23      THR  66  27.408  25.411  15.256
  532    H    VAL  67           H        VAL  67  30.057  25.869  18.473
  533    HA   VAL  67           HA       VAL  67  31.702  26.869  16.364
  534    HB   VAL  67           HB       VAL  67  32.998  28.012  18.701
  535   HG11  VAL  67          HG11      VAL  67  33.603  28.396  16.352
  536   HG12  VAL  67          HG12      VAL  67  32.075  29.270  16.104
  537   HG13  VAL  67          HG13      VAL  67  33.299  29.906  17.224
  538   HG21  VAL  67          HG21      VAL  67  30.728  28.630  19.522
  539   HG22  VAL  67          HG22      VAL  67  31.723  30.015  19.069
  540   HG23  VAL  67          HG23      VAL  67  30.435  29.476  17.982
  541    HA   PRO  68           HA       PRO  68  30.355  24.760  19.480
  542    HB2  PRO  68           HB2      PRO  68  31.259  23.681  21.770
  543    HB3  PRO  68           HB3      PRO  68  31.096  22.723  20.274
  544    HG2  PRO  68           HG2      PRO  68  33.606  24.085  21.324
  545    HG3  PRO  68           HG3      PRO  68  33.399  22.365  20.858
  546    HD2  PRO  68           HD2      PRO  68  34.398  24.139  19.099
  547    HD3  PRO  68           HD3      PRO  68  33.201  22.933  18.543
  548    H    ALA  69           H        ALA  69  29.578  25.659  21.557
  549    HA   ALA  69           HA       ALA  69  30.889  28.287  22.101
  550    HB1  ALA  69           HB1      ALA  69  28.146  27.178  22.803
  551    HB2  ALA  69           HB2      ALA  69  28.722  28.803  23.210
  552    HB3  ALA  69           HB3      ALA  69  28.516  28.337  21.508
  553    H    ILE  70           H        ILE  70  32.073  28.593  23.914
  554    HA   ILE  70           HA       ILE  70  32.212  26.340  25.878
  555    HB   ILE  70           HB       ILE  70  34.374  28.150  24.746
  556   HG12  ILE  70          HG12      ILE  70  34.381  25.137  24.455
  557   HG13  ILE  70          HG13      ILE  70  33.410  26.086  23.344
  558   HG21  ILE  70          HG21      ILE  70  34.580  25.928  26.825
  559   HG22  ILE  70          HG22      ILE  70  35.968  26.688  26.020
  560   HG23  ILE  70          HG23      ILE  70  34.928  27.655  27.060
  561   HD11  ILE  70          HD11      ILE  70  35.621  25.645  22.400
  562   HD12  ILE  70          HD12      ILE  70  35.347  27.384  22.621
  563   HD13  ILE  70          HD13      ILE  70  36.391  26.499  23.752
  564    H    PHE  71           H        PHE  71  32.071  26.814  28.004
  565    HA   PHE  71           HA       PHE  71  32.145  29.674  28.822
  566    HB2  PHE  71           HB2      PHE  71  30.178  27.514  29.621
  567    HB3  PHE  71           HB3      PHE  71  30.339  29.061  30.430
  568    HD1  PHE  71           HD1      PHE  71  29.469  27.470  27.158
  569    HD2  PHE  71           HD2      PHE  71  29.273  31.037  29.576
  570    HE1  PHE  71           HE1      PHE  71  27.882  28.495  25.537
  571    HE2  PHE  71           HE2      PHE  71  27.651  32.025  27.983
  572    HZ   PHE  71           HZ       PHE  71  26.961  30.747  25.955
  573    H    ILE  72           H        ILE  72  33.242  30.160  30.651
  574    HA   ILE  72           HA       ILE  72  34.210  27.941  32.415
  575    HB   ILE  72           HB       ILE  72  35.869  30.320  31.490
  576   HG12  ILE  72          HG12      ILE  72  35.847  27.371  30.739
  577   HG13  ILE  72          HG13      ILE  72  35.770  28.768  29.680
  578   HG21  ILE  72          HG21      ILE  72  36.332  29.678  33.851
  579   HG22  ILE  72          HG22      ILE  72  36.548  27.984  33.358
  580   HG23  ILE  72          HG23      ILE  72  37.676  29.251  32.821
  581   HD11  ILE  72          HD11      ILE  72  38.169  29.278  30.273
  582   HD12  ILE  72          HD12      ILE  72  38.223  27.736  31.171
  583   HD13  ILE  72          HD13      ILE  72  37.917  27.737  29.429
  584    H    ASN  73           H        ASN  73  33.549  28.202  34.418
  585    HA   ASN  73           HA       ASN  73  32.309  29.034  36.113
  586    HB2  ASN  73           HB2      ASN  73  34.286  31.324  35.857
  587    HB3  ASN  73           HB3      ASN  73  33.217  31.087  37.231
  588   HD21  ASN  73          HD21      ASN  73  36.016  31.254  37.285
  589   HD22  ASN  73          HD22      ASN  73  36.642  29.742  37.936
  590    H    GLY  74           H        GLY  74  30.959  29.389  33.701
  591    HA2  GLY  74           HA2      GLY  74  28.950  30.499  33.068
  592    HA3  GLY  74           HA3      GLY  74  29.231  31.677  34.321
  593    H    ASN  75           H        ASN  75  32.076  31.872  32.651
  594    HA   ASN  75           HA       ASN  75  31.203  34.255  31.128
  595    HB2  ASN  75           HB2      ASN  75  33.986  33.153  31.737
  596    HB3  ASN  75           HB3      ASN  75  33.651  34.722  31.083
  597   HD21  ASN  75          HD21      ASN  75  33.831  32.860  33.952
  598   HD22  ASN  75          HD22      ASN  75  33.563  34.232  35.034
  599    H    PHE  76           H        PHE  76  31.311  34.447  28.849
  600    HA   PHE  76           HA       PHE  76  31.513  31.918  27.395
  601    HB2  PHE  76           HB2      PHE  76  29.633  33.320  26.955
  602    HB3  PHE  76           HB3      PHE  76  30.656  34.711  26.626
  603    HD1  PHE  76           HD2      PHE  76  30.011  31.217  25.352
  604    HD2  PHE  76           HD1      PHE  76  31.256  35.235  24.416
  605    HE1  PHE  76           HE2      PHE  76  30.117  30.635  22.939
  606    HE2  PHE  76           HE1      PHE  76  31.360  34.648  22.011
  607    HZ   PHE  76           HZ       PHE  76  30.781  32.348  21.264
  608    H    ILE  77           H        ILE  77  32.885  31.243  25.960
  609    HA   ILE  77           HA       ILE  77  34.953  32.958  24.694
  610    HB   ILE  77           HB       ILE  77  35.364  30.139  25.780
  611   HG12  ILE  77          HG12      ILE  77  36.647  32.741  26.725
  612   HG13  ILE  77          HG13      ILE  77  35.384  31.861  27.583
  613   HG21  ILE  77          HG21      ILE  77  37.366  31.974  24.382
  614   HG22  ILE  77          HG22      ILE  77  37.697  30.349  25.008
  615   HG23  ILE  77          HG23      ILE  77  36.611  30.538  23.652
  616   HD11  ILE  77          HD11      ILE  77  37.436  31.322  28.642
  617   HD12  ILE  77          HD12      ILE  77  36.902  29.877  27.757
  618   HD13  ILE  77          HD13      ILE  77  38.216  30.891  27.116
  619    H    GLY  78           H        GLY  78  35.062  32.608  22.441
  620    HA2  GLY  78           HA2      GLY  78  33.766  30.102  21.374
  621    HA3  GLY  78           HA3      GLY  78  33.464  31.661  20.634
  622    H    GLY  79           H        GLY  79  35.260  28.943  20.507
  623    HA2  GLY  79           HA2      GLY  79  36.161  28.591  18.197
  624    HA3  GLY  79           HA3      GLY  79  37.183  29.996  18.474
  625    H    CYS  80           H        CYS  80  37.678  26.928  18.089
  626    HA   CYS  80           HA       CYS  80  38.959  25.977  20.479
  627    HB2  CYS  80           HB2      CYS  80  39.412  25.276  17.540
  628    HB3  CYS  80           HB3      CYS  80  40.129  24.404  18.910
  629    HG   CYS  80           HG       CYS  80  36.939  24.937  18.216
  630    H    SER  81           H        SER  81  40.306  27.741  17.669
  631    HA   SER  81           HA       SER  81  42.993  28.001  18.633
  632    HB2  SER  81           HB2      SER  81  43.117  29.943  17.114
  633    HB3  SER  81           HB3      SER  81  42.351  28.557  16.328
  634    HG   SER  81           HG       SER  81  40.359  29.501  16.586
  635    H    ASP  82           H        ASP  82  40.053  29.720  19.425
  636    HA   ASP  82           HA       ASP  82  41.229  31.989  20.759
  637    HB2  ASP  82           HB2      ASP  82  38.777  31.306  19.628
  638    HB3  ASP  82           HB3      ASP  82  38.381  31.272  21.330
  639    H    LEU  83           H        LEU  83  39.854  28.909  21.851
  640    HA   LEU  83           HA       LEU  83  40.209  29.334  24.686
  641    HB2  LEU  83           HB2      LEU  83  38.614  27.706  23.777
  642    HB3  LEU  83           HB3      LEU  83  39.902  26.876  22.910
  643    HG   LEU  83           HG       LEU  83  40.941  26.233  25.106
  644   HD11  LEU  83          HD11      LEU  83  38.351  27.380  26.242
  645   HD12  LEU  83          HD12      LEU  83  39.485  26.343  27.133
  646   HD13  LEU  83          HD13      LEU  83  40.001  27.944  26.585
  647   HD21  LEU  83          HD21      LEU  83  39.450  24.726  23.818
  648   HD22  LEU  83          HD22      LEU  83  39.412  24.444  25.559
  649   HD23  LEU  83          HD23      LEU  83  38.070  25.309  24.777
  650    H    GLU  84           H        GLU  84  42.200  27.632  22.185
  651    HA   GLU  84           HA       GLU  84  44.296  26.920  24.041
  652    HB2  GLU  84           HB2      GLU  84  44.339  27.221  21.005
  653    HB3  GLU  84           HB3      GLU  84  45.700  26.659  21.987
  654    HG2  GLU  84           HG2      GLU  84  44.177  24.850  22.909
  655    HG3  GLU  84           HG3      GLU  84  43.026  25.265  21.641
  656    H    ALA  85           H        ALA  85  43.734  29.877  22.108
  657    HA   ALA  85           HA       ALA  85  46.297  30.978  22.413
  658    HB1  ALA  85           HB1      ALA  85  45.087  33.185  22.040
  659    HB2  ALA  85           HB2      ALA  85  44.663  31.931  20.873
  660    HB3  ALA  85           HB3      ALA  85  43.547  32.317  22.201
  661    H    LEU  86           H        LEU  86  43.565  31.042  24.700
  662    HA   LEU  86           HA       LEU  86  44.857  32.762  26.678
  663    HB2  LEU  86           HB2      LEU  86  42.508  30.809  26.704
  664    HB3  LEU  86           HB3      LEU  86  43.028  31.628  28.169
  665    HG   LEU  86           HG       LEU  86  42.293  33.204  25.673
  666   HD11  LEU  86          HD11      LEU  86  40.050  33.495  26.656
  667   HD12  LEU  86          HD12      LEU  86  40.365  31.807  26.238
  668   HD13  LEU  86          HD13      LEU  86  40.451  32.329  27.939
  669   HD21  LEU  86          HD21      LEU  86  41.860  34.983  27.337
  670   HD22  LEU  86          HD22      LEU  86  42.304  33.884  28.658
  671   HD23  LEU  86          HD23      LEU  86  43.526  34.405  27.475
  672    H    ASP  87           H        ASP  87  44.868  29.298  26.008
  673    HA   ASP  87           HA       ASP  87  46.112  28.478  28.488
  674    HB2  ASP  87           HB2      ASP  87  44.764  27.062  26.815
  675    HB3  ASP  87           HB3      ASP  87  46.243  26.988  25.866
  676    H    LYS  88           H        LYS  88  47.401  29.132  25.234
  677    HA   LYS  88           HA       LYS  88  50.200  28.929  25.889
  678    HB2  LYS  88           HB2      LYS  88  48.609  30.252  23.659
  679    HB3  LYS  88           HB3      LYS  88  50.339  30.514  23.803
  680    HG2  LYS  88           HG2      LYS  88  50.051  28.793  22.233
  681    HG3  LYS  88           HG3      LYS  88  50.758  28.076  23.679
  682    HD2  LYS  88           HD2      LYS  88  48.574  27.080  24.287
  683    HD3  LYS  88           HD3      LYS  88  47.818  27.911  22.899
  684    HE2  LYS  88           HE2      LYS  88  49.093  26.743  21.295
  685    HE3  LYS  88           HE3      LYS  88  50.161  26.056  22.531
  686    HZ1  LYS  88           HZ1      LYS  88  47.976  24.968  23.377
  687    HZ2  LYS  88           HZ2      LYS  88  47.415  25.174  21.856
  688    HZ3  LYS  88           HZ3      LYS  88  48.764  24.311  22.112
  689    H    GLU  89           H        GLU  89  47.953  31.600  26.268
  690    HA   GLU  89           HA       GLU  89  50.064  33.489  27.090
  691    HB2  GLU  89           HB2      GLU  89  47.044  33.686  26.927
  692    HB3  GLU  89           HB3      GLU  89  48.089  34.978  27.547
  693    HG2  GLU  89           HG2      GLU  89  49.203  35.305  25.534
  694    HG3  GLU  89           HG3      GLU  89  48.574  33.835  24.818
  695    H    GLY  90           H        GLY  90  49.064  30.859  28.707
  696    HA2  GLY  90           HA2      GLY  90  49.513  30.285  30.885
  697    HA3  GLY  90           HA3      GLY  90  50.179  31.899  31.121
  698    H    LYS  91           H        LYS  91  46.858  31.952  30.125
  699    HA   LYS  91           HA       LYS  91  45.993  32.731  32.881
  700    HB2  LYS  91           HB2      LYS  91  45.264  33.479  30.034
  701    HB3  LYS  91           HB3      LYS  91  44.174  33.815  31.361
  702    HG2  LYS  91           HG2      LYS  91  45.762  35.216  32.504
  703    HG3  LYS  91           HG3      LYS  91  47.071  34.747  31.419
  704    HD2  LYS  91           HD2      LYS  91  44.608  36.338  30.559
  705    HD3  LYS  91           HD3      LYS  91  46.196  37.023  30.960
  706    HE2  LYS  91           HE2      LYS  91  47.214  35.536  29.209
  707    HE3  LYS  91           HE3      LYS  91  45.582  35.065  28.704
  708    HZ1  LYS  91           HZ1      LYS  91  45.178  37.483  28.283
  709    HZ2  LYS  91           HZ2      LYS  91  46.780  37.762  28.576
  710    HZ3  LYS  91           HZ3      LYS  91  46.323  36.815  27.304
  711    H    LEU  92           H        LEU  92  45.474  30.202  30.542
  712    HA   LEU  92           HA       LEU  92  42.795  29.575  31.600
  713    HB2  LEU  92           HB2      LEU  92  43.640  29.151  29.199
  714    HB3  LEU  92           HB3      LEU  92  44.576  27.822  29.881
  715    HG   LEU  92           HG       LEU  92  42.503  26.747  30.681
  716   HD11  LEU  92          HD11      LEU  92  41.093  29.053  29.277
  717   HD12  LEU  92          HD12      LEU  92  40.310  27.535  29.758
  718   HD13  LEU  92          HD13      LEU  92  40.968  28.597  30.997
  719   HD21  LEU  92          HD21      LEU  92  42.448  27.487  27.726
  720   HD22  LEU  92          HD22      LEU  92  43.343  26.143  28.450
  721   HD23  LEU  92          HD23      LEU  92  41.576  26.125  28.449
  722    H    ASP  93           H        ASP  93  46.101  28.575  32.210
  723    HA   ASP  93           HA       ASP  93  45.548  26.606  34.232
  724    HB2  ASP  93           HB2      ASP  93  47.756  28.685  33.849
  725    HB3  ASP  93           HB3      ASP  93  47.737  27.537  35.176
  726    H    GLY  94           H        GLY  94  45.758  30.203  34.384
  727    HA2  GLY  94           HA2      GLY  94  45.331  30.483  37.193
  728    HA3  GLY  94           HA3      GLY  94  45.011  31.710  35.956
  729    H    LEU  95           H        LEU  95  43.024  30.329  34.463
  730    HA   LEU  95           HA       LEU  95  40.660  30.804  35.997
  731    HB2  LEU  95           HB2      LEU  95  41.231  29.525  33.312
  732    HB3  LEU  95           HB3      LEU  95  39.600  29.604  33.953
  733    HG   LEU  95           HG       LEU  95  41.328  32.090  33.609
  734   HD11  LEU  95          HD11      LEU  95  40.015  32.524  31.567
  735   HD12  LEU  95          HD12      LEU  95  40.980  31.052  31.412
  736   HD13  LEU  95          HD13      LEU  95  39.229  30.940  31.725
  737   HD21  LEU  95          HD21      LEU  95  38.320  31.715  33.977
  738   HD22  LEU  95          HD22      LEU  95  39.444  32.396  35.172
  739   HD23  LEU  95          HD23      LEU  95  39.141  33.257  33.669
  740    H    LEU  96           H        LEU  96  42.489  27.802  35.589
  741    HA   LEU  96           HA       LEU  96  40.442  26.124  36.798
  742    HB2  LEU  96           HB2      LEU  96  43.447  25.714  36.616
  743    HB3  LEU  96           HB3      LEU  96  42.313  24.477  37.145
  744    HG   LEU  96           HG       LEU  96  42.418  25.634  34.347
  745   HD11  LEU  96          HD11      LEU  96  43.189  23.304  33.872
  746   HD12  LEU  96          HD12      LEU  96  44.230  24.053  35.084
  747   HD13  LEU  96          HD13      LEU  96  42.995  22.883  35.573
  748   HD21  LEU  96          HD21      LEU  96  40.092  25.130  34.893
  749   HD22  LEU  96          HD22      LEU  96  40.760  23.897  33.835
  750   HD23  LEU  96          HD23      LEU  96  40.568  23.550  35.564
  751    H    SER  97           H        SER  97  41.856  28.681  38.290
  752    HA   SER  97           HA       SER  97  42.565  27.983  40.895
  753    HB2  SER  97           HB2      SER  97  40.788  30.258  39.915
  754    HB3  SER  97           HB3      SER  97  41.348  30.110  41.585
  755    HG   SER  97           HG       SER  97  42.869  30.404  39.206
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1   5.900  33.590  31.955
    2    H2   GLY   1           H2       GLY   1   4.326  33.235  32.244
    3    H3   GLY   1           H3       GLY   1   5.085  32.599  30.932
    4    HA2  GLY   1           HA2      GLY   1   5.785  32.012  33.737
    5    HA3  GLY   1           HA3      GLY   1   4.803  30.958  32.713
    6    H    ALA   2           H        ALA   2   7.998  32.549  32.882
    7    HA   ALA   2           HA       ALA   2   9.249  30.689  31.019
    8    HB1  ALA   2           HB1      ALA   2  10.398  32.812  32.876
    9    HB2  ALA   2           HB2      ALA   2  11.261  32.002  31.551
   10    HB3  ALA   2           HB3      ALA   2   9.887  33.058  31.190
   11    H    MET   3           H        MET   3  11.261  29.563  31.590
   12    HA   MET   3           HA       MET   3  11.415  28.437  34.333
   13    HB2  MET   3           HB2      MET   3  11.390  26.876  31.724
   14    HB3  MET   3           HB3      MET   3  12.058  26.235  33.227
   15    HG2  MET   3           HG2      MET   3   9.867  26.650  34.354
   16    HG3  MET   3           HG3      MET   3   9.182  27.111  32.792
   17    HE1  MET   3           HE1      MET   3   7.650  23.565  33.792
   18    HE2  MET   3           HE2      MET   3   8.213  24.808  34.928
   19    HE3  MET   3           HE3      MET   3   7.285  25.278  33.487
   20    HA   PRO   4           HA       PRO   4  15.791  29.228  33.907
   21    HB2  PRO   4           HB2      PRO   4  16.228  26.583  35.292
   22    HB3  PRO   4           HB3      PRO   4  16.927  28.185  35.665
   23    HG2  PRO   4           HG2      PRO   4  14.906  27.203  37.172
   24    HG3  PRO   4           HG3      PRO   4  14.874  28.924  36.661
   25    HD2  PRO   4           HD2      PRO   4  13.450  26.564  35.382
   26    HD3  PRO   4           HD3      PRO   4  12.796  28.160  35.855
   27    H    SER   5           H        SER   5  16.884  28.997  32.059
   28    HA   SER   5           HA       SER   5  16.874  26.447  30.519
   29    HB2  SER   5           HB2      SER   5  17.687  29.277  29.826
   30    HB3  SER   5           HB3      SER   5  17.855  27.898  28.730
   31    HG   SER   5           HG       SER   5  15.975  29.194  28.433
   32    H    ILE   6           H        ILE   6  19.257  26.798  29.145
   33    HA   ILE   6           HA       ILE   6  21.059  25.339  30.607
   34    HB   ILE   6           HB       ILE   6  22.700  25.872  28.824
   35   HG12  ILE   6          HG12      ILE   6  20.540  27.567  27.610
   36   HG13  ILE   6          HG13      ILE   6  21.921  28.262  28.439
   37   HG21  ILE   6          HG21      ILE   6  21.410  24.777  27.055
   38   HG22  ILE   6          HG22      ILE   6  21.304  24.007  28.637
   39   HG23  ILE   6          HG23      ILE   6  19.960  24.986  28.069
   40   HD11  ILE   6          HD11      ILE   6  22.096  26.555  25.922
   41   HD12  ILE   6          HD12      ILE   6  22.115  28.322  25.991
   42   HD13  ILE   6          HD13      ILE   6  23.422  27.432  26.740
   43    H    ALA   7           H        ALA   7  20.859  28.851  30.677
   44    HA   ALA   7           HA       ALA   7  23.306  29.682  31.660
   45    HB1  ALA   7           HB1      ALA   7  20.491  30.430  32.584
   46    HB2  ALA   7           HB2      ALA   7  21.957  31.405  32.849
   47    HB3  ALA   7           HB3      ALA   7  21.361  31.119  31.208
   48    H    SER   8           H        SER   8  20.802  27.909  33.532
   49    HA   SER   8           HA       SER   8  22.106  28.096  36.118
   50    HB2  SER   8           HB2      SER   8  19.702  27.612  35.756
   51    HB3  SER   8           HB3      SER   8  20.120  26.063  35.007
   52    HG   SER   8           HG       SER   8  19.538  26.182  37.357
   53    H    MET   9           H        MET   9  22.496  25.832  33.406
   54    HA   MET   9           HA       MET   9  23.981  23.820  34.865
   55    HB2  MET   9           HB2      MET   9  24.125  24.441  31.886
   56    HB3  MET   9           HB3      MET   9  24.578  22.947  32.692
   57    HG2  MET   9           HG2      MET   9  22.197  22.590  33.346
   58    HG3  MET   9           HG3      MET   9  21.762  24.070  32.480
   59    HE1  MET   9           HE1      MET   9  20.066  23.161  30.851
   60    HE2  MET   9           HE2      MET   9  20.217  21.613  29.996
   61    HE3  MET   9           HE3      MET   9  20.137  21.639  31.774
   62    H    ILE  10           H        ILE  10  24.913  26.833  33.220
   63    HA   ILE  10           HA       ILE  10  27.677  26.323  32.918
   64    HB   ILE  10           HB       ILE  10  26.650  29.103  33.522
   65   HG12  ILE  10          HG12      ILE  10  25.036  28.214  31.918
   66   HG13  ILE  10          HG13      ILE  10  26.048  29.444  31.201
   67   HG21  ILE  10          HG21      ILE  10  29.041  28.897  33.234
   68   HG22  ILE  10          HG22      ILE  10  28.850  27.971  31.747
   69   HG23  ILE  10          HG23      ILE  10  28.367  29.683  31.797
   70   HD11  ILE  10          HD11      ILE  10  26.365  26.441  30.771
   71   HD12  ILE  10          HD12      ILE  10  25.640  27.600  29.641
   72   HD13  ILE  10          HD13      ILE  10  27.367  27.706  30.016
   73    H    LYS  11           H        LYS  11  25.898  27.141  35.802
   74    HA   LYS  11           HA       LYS  11  28.291  27.998  37.308
   75    HB2  LYS  11           HB2      LYS  11  25.332  27.721  38.021
   76    HB3  LYS  11           HB3      LYS  11  26.583  28.146  39.182
   77    HG2  LYS  11           HG2      LYS  11  25.900  30.201  38.669
   78    HG3  LYS  11           HG3      LYS  11  27.188  30.072  37.482
   79    HD2  LYS  11           HD2      LYS  11  25.620  29.785  35.685
   80    HD3  LYS  11           HD3      LYS  11  24.290  29.392  36.802
   81    HE2  LYS  11           HE2      LYS  11  24.433  31.665  37.766
   82    HE3  LYS  11           HE3      LYS  11  25.686  32.096  36.592
   83    HZ1  LYS  11           HZ1      LYS  11  24.073  31.852  34.839
   84    HZ2  LYS  11           HZ2      LYS  11  22.942  31.227  35.883
   85    HZ3  LYS  11           HZ3      LYS  11  23.384  32.783  36.030
   86    H    GLY  12           H        GLY  12  27.149  24.948  36.503
   87    HA2  GLY  12           HA2      GLY  12  27.588  23.683  39.102
   88    HA3  GLY  12           HA3      GLY  12  27.176  22.897  37.585
   89    H    ASN  13           H        ASN  13  29.506  24.003  36.117
   90    HA   ASN  13           HA       ASN  13  31.739  22.397  37.319
   91    HB2  ASN  13           HB2      ASN  13  30.643  22.443  34.481
   92    HB3  ASN  13           HB3      ASN  13  32.296  21.957  34.809
   93   HD21  ASN  13          HD21      ASN  13  32.663  20.155  36.379
   94   HD22  ASN  13          HD22      ASN  13  31.450  18.885  36.377
   95    H    LYS  14           H        LYS  14  33.880  22.906  36.481
   96    HA   LYS  14           HA       LYS  14  34.504  25.738  36.526
   97    HB2  LYS  14           HB2      LYS  14  35.979  23.653  37.128
   98    HB3  LYS  14           HB3      LYS  14  36.271  23.546  35.395
   99    HG2  LYS  14           HG2      LYS  14  38.075  24.800  35.998
  100    HG3  LYS  14           HG3      LYS  14  36.938  26.098  35.623
  101    HD2  LYS  14           HD2      LYS  14  37.858  26.762  37.670
  102    HD3  LYS  14           HD3      LYS  14  36.327  26.016  38.152
  103    HE2  LYS  14           HE2      LYS  14  37.590  23.872  38.622
  104    HE3  LYS  14           HE3      LYS  14  39.097  24.718  38.224
  105    HZ1  LYS  14           HZ1      LYS  14  38.741  24.733  40.600
  106    HZ2  LYS  14           HZ2      LYS  14  38.594  26.273  40.037
  107    HZ3  LYS  14           HZ3      LYS  14  37.245  25.381  40.436
  108    H    VAL  15           H        VAL  15  34.206  23.355  33.880
  109    HA   VAL  15           HA       VAL  15  33.795  25.596  31.960
  110    HB   VAL  15           HB       VAL  15  35.238  22.989  31.372
  111   HG11  VAL  15          HG11      VAL  15  35.741  24.072  29.179
  112   HG12  VAL  15          HG12      VAL  15  34.025  23.754  29.395
  113   HG13  VAL  15          HG13      VAL  15  34.647  25.401  29.603
  114   HG21  VAL  15          HG21      VAL  15  36.746  24.355  32.613
  115   HG22  VAL  15          HG22      VAL  15  37.155  24.628  30.907
  116   HG23  VAL  15          HG23      VAL  15  36.207  25.831  31.793
  117    H    VAL  16           H        VAL  16  32.109  25.493  30.624
  118    HA   VAL  16           HA       VAL  16  30.631  22.936  30.304
  119    HB   VAL  16           HB       VAL  16  29.270  25.594  30.803
  120   HG11  VAL  16          HG11      VAL  16  28.156  22.816  30.177
  121   HG12  VAL  16          HG12      VAL  16  27.191  24.192  30.743
  122   HG13  VAL  16          HG13      VAL  16  27.986  24.274  29.169
  123   HG21  VAL  16          HG21      VAL  16  30.042  24.623  32.900
  124   HG22  VAL  16          HG22      VAL  16  28.318  24.264  32.766
  125   HG23  VAL  16          HG23      VAL  16  29.501  23.002  32.405
  126    H    VAL  17           H        VAL  17  30.143  22.440  28.222
  127    HA   VAL  17           HA       VAL  17  30.721  24.453  26.074
  128    HB   VAL  17           HB       VAL  17  31.620  21.561  26.385
  129   HG11  VAL  17          HG11      VAL  17  31.740  23.249  23.838
  130   HG12  VAL  17          HG12      VAL  17  32.600  21.718  24.103
  131   HG13  VAL  17          HG13      VAL  17  30.847  21.723  24.042
  132   HG21  VAL  17          HG21      VAL  17  33.080  24.159  25.785
  133   HG22  VAL  17          HG22      VAL  17  33.071  23.297  27.339
  134   HG23  VAL  17          HG23      VAL  17  33.824  22.555  25.921
  135    H    PHE  18           H        PHE  18  29.502  24.397  24.187
  136    HA   PHE  18           HA       PHE  18  27.304  22.366  24.073
  137    HB2  PHE  18           HB2      PHE  18  27.090  25.170  22.965
  138    HB3  PHE  18           HB3      PHE  18  25.890  23.903  22.895
  139    HD1  PHE  18           HD1      PHE  18  24.622  23.221  24.878
  140    HD2  PHE  18           HD2      PHE  18  27.511  26.409  25.070
  141    HE1  PHE  18           HE1      PHE  18  23.696  23.926  27.074
  142    HE2  PHE  18           HE2      PHE  18  26.559  27.133  27.251
  143    HZ   PHE  18           HZ       PHE  18  24.630  25.929  28.220
  144    H    SER  19           H        SER  19  27.550  20.984  22.558
  145    HA   SER  19           HA       SER  19  29.281  21.507  20.170
  146    HB2  SER  19           HB2      SER  19  28.866  19.020  21.859
  147    HB3  SER  19           HB3      SER  19  29.622  18.998  20.260
  148    HG   SER  19           HG       SER  19  31.192  19.147  21.926
  149    H    TRP  20           H        TRP  20  28.791  20.039  18.266
  150    HA   TRP  20           HA       TRP  20  25.922  19.305  18.096
  151    HB2  TRP  20           HB2      TRP  20  26.744  21.683  17.088
  152    HB3  TRP  20           HB3      TRP  20  27.028  20.659  15.692
  153    HD1  TRP  20           HD1      TRP  20  24.192  20.984  18.305
  154    HE1  TRP  20           HE1      TRP  20  21.922  21.346  17.081
  155    HE3  TRP  20           HE3      TRP  20  25.805  20.663  13.449
  156    HZ2  TRP  20           HZ2      TRP  20  20.954  21.286  14.395
  157    HZ3  TRP  20           HZ3      TRP  20  24.185  20.842  11.579
  158    HH2  TRP  20           HH2      TRP  20  21.761  21.156  12.031
  159    H    VAL  21           H        VAL  21  25.291  17.768  16.679
  160    HA   VAL  21           HA       VAL  21  27.309  15.734  16.026
  161    HB   VAL  21           HB       VAL  21  24.293  15.713  15.790
  162   HG11  VAL  21          HG11      VAL  21  26.261  13.389  15.620
  163   HG12  VAL  21          HG12      VAL  21  24.494  13.272  15.597
  164   HG13  VAL  21          HG13      VAL  21  25.322  14.054  14.256
  165   HG21  VAL  21          HG21      VAL  21  26.135  14.491  17.895
  166   HG22  VAL  21          HG22      VAL  21  24.995  15.833  18.147
  167   HG23  VAL  21          HG23      VAL  21  24.381  14.225  17.775
  168    H    THR  22           H        THR  22  27.266  16.258  12.436
  169    HA   THR  22           HA       THR  22  28.919  15.722  14.871
  170    HB   THR  22           HB       THR  22  30.346  14.332  13.397
  171    HG1  THR  22           HG1      THR  22  28.121  14.403  11.632
  172   HG21  THR  22          HG21      THR  22  27.485  13.291  13.443
  173   HG22  THR  22          HG22      THR  22  28.589  13.277  14.839
  174   HG23  THR  22          HG23      THR  22  28.989  12.352  13.380
  175    H    CYS  23           H        CYS  23  30.587  17.078  15.192
  176    HA   CYS  23           HA       CYS  23  31.238  18.999  12.984
  177    HB2  CYS  23           HB2      CYS  23  29.680  19.882  14.613
  178    HB3  CYS  23           HB3      CYS  23  30.819  19.515  15.920
  179    HG   CYS  23           HG       CYS  23  31.313  21.434  13.226
  180    HA   PRO  24           HA       PRO  24  35.329  17.250  13.826
  181    HB2  PRO  24           HB2      PRO  24  36.073  19.268  11.707
  182    HB3  PRO  24           HB3      PRO  24  36.587  17.559  11.871
  183    HG2  PRO  24           HG2      PRO  24  34.651  18.217  10.102
  184    HG3  PRO  24           HG3      PRO  24  34.440  16.773  11.149
  185    HD2  PRO  24           HD2      PRO  24  33.292  19.548  11.534
  186    HD3  PRO  24           HD3      PRO  24  32.489  17.957  11.657
  187    H    TYR  25           H        TYR  25  34.435  20.512  14.373
  188    HA   TYR  25           HA       TYR  25  36.919  21.386  15.688
  189    HB2  TYR  25           HB2      TYR  25  34.010  22.289  15.677
  190    HB3  TYR  25           HB3      TYR  25  35.256  23.147  16.548
  191    HD1  TYR  25           HD1      TYR  25  37.586  23.051  14.643
  192    HD2  TYR  25           HD2      TYR  25  33.423  24.070  14.080
  193    HE1  TYR  25           HE1      TYR  25  38.205  24.588  12.795
  194    HE2  TYR  25           HE2      TYR  25  34.059  25.604  12.225
  195    HH   TYR  25           HH       TYR  25  35.771  26.523  11.009
  196    H    CYS  26           H        CYS  26  34.052  19.634  16.727
  197    HA   CYS  26           HA       CYS  26  33.943  20.995  19.342
  198    HB2  CYS  26           HB2      CYS  26  32.477  18.795  17.944
  199    HB3  CYS  26           HB3      CYS  26  32.154  19.137  19.666
  200    HG   CYS  26           HG       CYS  26  32.045  21.243  17.091
  201    H    VAL  27           H        VAL  27  34.934  17.843  17.988
  202    HA   VAL  27           HA       VAL  27  35.963  16.544  20.178
  203    HB   VAL  27           HB       VAL  27  37.492  15.747  18.614
  204   HG11  VAL  27          HG11      VAL  27  35.993  14.534  17.101
  205   HG12  VAL  27          HG12      VAL  27  35.148  14.832  18.626
  206   HG13  VAL  27          HG13      VAL  27  34.810  15.854  17.210
  207   HG21  VAL  27          HG21      VAL  27  36.919  17.773  16.668
  208   HG22  VAL  27          HG22      VAL  27  38.465  17.067  17.292
  209   HG23  VAL  27          HG23      VAL  27  37.467  16.153  16.161
  210    H    ARG  28           H        ARG  28  37.744  18.655  18.062
  211    HA   ARG  28           HA       ARG  28  40.168  18.843  19.267
  212    HB2  ARG  28           HB2      ARG  28  39.014  21.454  18.216
  213    HB3  ARG  28           HB3      ARG  28  40.681  20.886  18.181
  214    HG2  ARG  28           HG2      ARG  28  39.873  19.026  16.613
  215    HG3  ARG  28           HG3      ARG  28  38.336  19.916  16.541
  216    HD2  ARG  28           HD2      ARG  28  39.459  21.887  15.656
  217    HD3  ARG  28           HD3      ARG  28  41.021  21.050  15.732
  218    HE   ARG  28           HE       ARG  28  39.175  19.433  14.277
  219   HH11  ARG  28          HH22      ARG  28  40.733  22.544  13.740
  220   HH12  ARG  28          HH21      ARG  28  40.544  22.376  11.995
  221   HH21  ARG  28          HH12      ARG  28  39.457  19.119  12.147
  222   HH22  ARG  28          HH11      ARG  28  39.856  20.459  11.108
  223    H    ALA  29           H        ALA  29  37.460  20.975  20.198
  224    HA   ALA  29           HA       ALA  29  38.875  22.133  22.451
  225    HB1  ALA  29           HB1      ALA  29  36.952  23.254  21.411
  226    HB2  ALA  29           HB2      ALA  29  35.885  21.912  21.894
  227    HB3  ALA  29           HB3      ALA  29  36.657  22.931  23.134
  228    H    GLU  30           H        GLU  30  36.406  19.455  22.250
  229    HA   GLU  30           HA       GLU  30  36.420  18.787  25.022
  230    HB2  GLU  30           HB2      GLU  30  35.954  17.064  22.555
  231    HB3  GLU  30           HB3      GLU  30  35.607  16.560  24.208
  232    HG2  GLU  30           HG2      GLU  30  33.910  18.297  24.457
  233    HG3  GLU  30           HG3      GLU  30  34.274  18.967  22.865
  234    H    LYS  31           H        LYS  31  38.635  17.721  22.516
  235    HA   LYS  31           HA       LYS  31  39.985  15.809  24.092
  236    HB2  LYS  31           HB2      LYS  31  40.169  15.492  21.796
  237    HB3  LYS  31           HB3      LYS  31  40.379  17.160  21.357
  238    HG2  LYS  31           HG2      LYS  31  42.742  17.036  22.389
  239    HG3  LYS  31           HG3      LYS  31  42.447  15.310  22.644
  240    HD2  LYS  31           HD2      LYS  31  43.651  15.475  20.639
  241    HD3  LYS  31           HD3      LYS  31  41.970  15.177  20.143
  242    HE2  LYS  31           HE2      LYS  31  41.667  17.501  19.536
  243    HE3  LYS  31           HE3      LYS  31  43.207  17.958  20.296
  244    HZ1  LYS  31           HZ1      LYS  31  42.878  16.303  17.842
  245    HZ2  LYS  31           HZ2      LYS  31  43.548  17.805  17.958
  246    HZ3  LYS  31           HZ3      LYS  31  44.314  16.524  18.625
  247    H    LEU  32           H        LEU  32  40.806  19.119  23.223
  248    HA   LEU  32           HA       LEU  32  43.218  19.448  24.715
  249    HB2  LEU  32           HB2      LEU  32  42.200  20.842  22.870
  250    HB3  LEU  32           HB3      LEU  32  41.062  21.442  24.073
  251    HG   LEU  32           HG       LEU  32  42.785  23.015  23.521
  252   HD11  LEU  32          HD11      LEU  32  41.913  23.020  25.878
  253   HD12  LEU  32          HD12      LEU  32  43.437  22.210  26.353
  254   HD13  LEU  32          HD13      LEU  32  43.477  23.811  25.613
  255   HD21  LEU  32          HD21      LEU  32  44.583  21.545  22.889
  256   HD22  LEU  32          HD22      LEU  32  45.153  22.675  24.122
  257   HD23  LEU  32          HD23      LEU  32  44.793  20.992  24.559
  258    H    LEU  33           H        LEU  33  39.820  20.112  25.590
  259    HA   LEU  33           HA       LEU  33  40.334  21.267  28.117
  260    HB2  LEU  33           HB2      LEU  33  37.907  19.830  26.967
  261    HB3  LEU  33           HB3      LEU  33  37.861  20.640  28.529
  262    HG   LEU  33           HG       LEU  33  38.610  22.070  25.950
  263   HD11  LEU  33          HD11      LEU  33  35.906  22.235  27.251
  264   HD12  LEU  33          HD12      LEU  33  36.457  22.984  25.751
  265   HD13  LEU  33          HD13      LEU  33  36.275  21.229  25.824
  266   HD21  LEU  33          HD21      LEU  33  39.390  23.264  27.900
  267   HD22  LEU  33          HD22      LEU  33  37.975  24.104  27.260
  268   HD23  LEU  33          HD23      LEU  33  37.797  23.071  28.687
  269    H    HIS  34           H        HIS  34  39.642  17.834  27.302
  270    HA   HIS  34           HA       HIS  34  40.110  16.849  29.982
  271    HB2  HIS  34           HB2      HIS  34  40.056  15.608  27.211
  272    HB3  HIS  34           HB3      HIS  34  40.637  14.692  28.597
  273    HD1  HIS  34           HD1      HIS  34  38.823  13.347  29.830
  274    HD2  HIS  34           HD2      HIS  34  37.365  16.709  27.749
  275    HE1  HIS  34           HE1      HIS  34  36.311  13.359  30.154
  276    H    ALA  35           H        ALA  35  42.313  17.389  27.144
  277    HA   ALA  35           HA       ALA  35  44.438  15.870  28.309
  278    HB1  ALA  35           HB1      ALA  35  44.269  16.306  25.905
  279    HB2  ALA  35           HB2      ALA  35  44.480  18.050  26.173
  280    HB3  ALA  35           HB3      ALA  35  45.806  16.919  26.516
  281    H    ARG  36           H        ARG  36  43.534  19.215  28.728
  282    HA   ARG  36           HA       ARG  36  45.914  19.683  30.457
  283    HB2  ARG  36           HB2      ARG  36  44.524  21.544  28.633
  284    HB3  ARG  36           HB3      ARG  36  45.532  22.102  29.986
  285    HG2  ARG  36           HG2      ARG  36  47.118  22.153  28.355
  286    HG3  ARG  36           HG3      ARG  36  47.396  20.557  29.048
  287    HD2  ARG  36           HD2      ARG  36  45.871  19.627  27.292
  288    HD3  ARG  36           HD3      ARG  36  45.823  21.222  26.524
  289    HE   ARG  36           HE       ARG  36  47.797  19.206  26.174
  290   HH11  ARG  36          HH12      ARG  36  47.836  22.742  26.500
  291   HH12  ARG  36          HH11      ARG  36  49.458  22.772  25.860
  292   HH21  ARG  36          HH22      ARG  36  49.573  19.426  25.132
  293   HH22  ARG  36          HH21      ARG  36  50.182  21.023  24.692
  294    H    THR  37           H        THR  37  43.302  18.715  31.081
  295    HA   THR  37           HA       THR  37  42.234  18.347  33.083
  296    HB   THR  37           HB       THR  37  43.614  20.476  34.567
  297    HG1  THR  37           HG1      THR  37  45.558  19.694  34.451
  298   HG21  THR  37          HG21      THR  37  44.012  18.694  36.232
  299   HG22  THR  37          HG22      THR  37  43.373  17.484  35.098
  300   HG23  THR  37          HG23      THR  37  42.308  18.743  35.764
  301    H    LYS  38           H        LYS  38  40.887  20.165  31.411
  302    HA   LYS  38           HA       LYS  38  39.634  22.103  33.307
  303    HB2  LYS  38           HB2      LYS  38  39.217  21.453  30.392
  304    HB3  LYS  38           HB3      LYS  38  37.944  22.195  31.341
  305    HG2  LYS  38           HG2      LYS  38  39.302  23.925  30.171
  306    HG3  LYS  38           HG3      LYS  38  39.261  24.091  31.903
  307    HD2  LYS  38           HD2      LYS  38  41.404  24.649  31.321
  308    HD3  LYS  38           HD3      LYS  38  41.573  23.037  31.984
  309    HE2  LYS  38           HE2      LYS  38  41.855  22.068  29.783
  310    HE3  LYS  38           HE3      LYS  38  41.493  23.637  29.012
  311    HZ1  LYS  38           HZ1      LYS  38  43.842  22.971  30.695
  312    HZ2  LYS  38           HZ2      LYS  38  43.885  23.549  29.144
  313    HZ3  LYS  38           HZ3      LYS  38  43.486  24.506  30.363
  314    H    ASP  39           H        ASP  39  38.645  21.095  34.901
  315    HA   ASP  39           HA       ASP  39  36.817  18.963  34.683
  316    HB2  ASP  39           HB2      ASP  39  37.166  19.845  36.872
  317    HB3  ASP  39           HB3      ASP  39  36.718  21.479  36.389
  318    H    ILE  40           H        ILE  40  35.646  18.722  33.010
  319    HA   ILE  40           HA       ILE  40  34.076  20.965  31.874
  320    HB   ILE  40           HB       ILE  40  36.194  20.384  30.759
  321   HG12  ILE  40          HG12      ILE  40  33.645  20.914  29.560
  322   HG13  ILE  40          HG13      ILE  40  35.239  21.491  29.175
  323   HG21  ILE  40          HG21      ILE  40  34.893  17.771  29.917
  324   HG22  ILE  40          HG22      ILE  40  36.494  18.390  29.450
  325   HG23  ILE  40          HG23      ILE  40  36.178  17.937  31.117
  326   HD11  ILE  40          HD11      ILE  40  34.120  20.479  27.235
  327   HD12  ILE  40          HD12      ILE  40  35.605  19.607  27.632
  328   HD13  ILE  40          HD13      ILE  40  34.012  18.927  28.075
  329    H    THR  41           H        THR  41  32.121  20.755  31.174
  330    HA   THR  41           HA       THR  41  30.849  18.072  30.778
  331    HB   THR  41           HB       THR  41  29.861  20.502  32.280
  332    HG1  THR  41           HG1      THR  41  29.652  19.125  33.826
  333   HG21  THR  41          HG21      THR  41  27.582  19.456  32.284
  334   HG22  THR  41          HG22      THR  41  28.102  18.417  30.939
  335   HG23  THR  41          HG23      THR  41  28.051  20.192  30.755
  336    H    VAL  42           H        VAL  42  30.002  17.875  28.720
  337    HA   VAL  42           HA       VAL  42  29.387  20.349  27.199
  338    HB   VAL  42           HB       VAL  42  31.137  19.629  26.058
  339   HG11  VAL  42          HG11      VAL  42  30.570  16.788  26.661
  340   HG12  VAL  42          HG12      VAL  42  31.819  17.367  25.510
  341   HG13  VAL  42          HG13      VAL  42  31.908  17.877  27.194
  342   HG21  VAL  42          HG21      VAL  42  30.534  18.597  23.970
  343   HG22  VAL  42          HG22      VAL  42  29.052  17.933  24.664
  344   HG23  VAL  42          HG23      VAL  42  29.247  19.697  24.467
  345    H    HIS  43           H        HIS  43  27.499  20.599  26.248
  346    HA   HIS  43           HA       HIS  43  25.546  18.330  26.296
  347    HB2  HIS  43           HB2      HIS  43  25.068  20.586  27.515
  348    HB3  HIS  43           HB3      HIS  43  24.860  21.245  25.918
  349    HD1  HIS  43           HD1      HIS  43  23.180  18.771  28.364
  350    HD2  HIS  43           HD2      HIS  43  22.658  20.524  24.576
  351    HE1  HIS  43           HE1      HIS  43  20.763  18.337  27.695
  352    H    TYR  44           H        TYR  44  25.139  17.392  24.409
  353    HA   TYR  44           HA       TYR  44  25.664  18.749  21.781
  354    HB2  TYR  44           HB2      TYR  44  25.186  15.906  22.650
  355    HB3  TYR  44           HB3      TYR  44  24.828  16.430  21.009
  356    HD1  TYR  44           HD1      TYR  44  27.595  16.074  23.486
  357    HD2  TYR  44           HD2      TYR  44  26.510  17.062  19.456
  358    HE1  TYR  44           HE1      TYR  44  30.008  16.036  22.817
  359    HE2  TYR  44           HE2      TYR  44  28.898  16.842  18.740
  360    HH   TYR  44           HH       TYR  44  31.454  16.753  21.147
  361    H    VAL  45           H        VAL  45  24.036  20.316  21.713
  362    HA   VAL  45           HA       VAL  45  21.366  19.885  22.648
  363    HB   VAL  45           HB       VAL  45  20.732  21.870  21.209
  364   HG11  VAL  45          HG11      VAL  45  21.349  22.148  23.590
  365   HG12  VAL  45          HG12      VAL  45  23.075  22.268  23.141
  366   HG13  VAL  45          HG13      VAL  45  21.907  23.501  22.626
  367   HG21  VAL  45          HG21      VAL  45  22.555  23.231  20.285
  368   HG22  VAL  45          HG22      VAL  45  23.722  21.948  20.610
  369   HG23  VAL  45          HG23      VAL  45  22.383  21.688  19.453
  370    H    ASP  46           H        ASP  46  22.753  18.692  19.686
  371    HA   ASP  46           HA       ASP  46  20.176  18.200  18.412
  372    HB2  ASP  46           HB2      ASP  46  22.295  18.455  17.164
  373    HB3  ASP  46           HB3      ASP  46  22.891  16.958  17.873
  374    H    LYS  47           H        LYS  47  21.657  16.636  21.119
  375    HA   LYS  47           HA       LYS  47  20.575  13.957  20.552
  376    HB2  LYS  47           HB2      LYS  47  21.864  15.169  23.011
  377    HB3  LYS  47           HB3      LYS  47  21.258  13.525  22.956
  378    HG2  LYS  47           HG2      LYS  47  23.350  14.575  21.009
  379    HG3  LYS  47           HG3      LYS  47  23.720  13.843  22.574
  380    HD2  LYS  47           HD2      LYS  47  22.545  11.760  21.889
  381    HD3  LYS  47           HD3      LYS  47  22.183  12.492  20.311
  382    HE2  LYS  47           HE2      LYS  47  24.613  12.725  19.862
  383    HE3  LYS  47           HE3      LYS  47  24.970  11.969  21.419
  384    HZ1  LYS  47           HZ1      LYS  47  23.351  10.602  19.337
  385    HZ2  LYS  47           HZ2      LYS  47  24.986  10.434  19.471
  386    HZ3  LYS  47           HZ3      LYS  47  24.001   9.932  20.687
  387    H    MET  48           H        MET  48  19.553  16.698  22.486
  388    HA   MET  48           HA       MET  48  16.992  15.319  23.152
  389    HB2  MET  48           HB2      MET  48  18.342  16.123  25.035
  390    HB3  MET  48           HB3      MET  48  18.332  17.761  24.362
  391    HG2  MET  48           HG2      MET  48  15.889  17.886  24.663
  392    HG3  MET  48           HG3      MET  48  15.865  16.218  25.239
  393    HE1  MET  48           HE1      MET  48  16.945  19.927  25.982
  394    HE2  MET  48           HE2      MET  48  17.645  19.802  27.609
  395    HE3  MET  48           HE3      MET  48  18.513  19.122  26.220
  396    H    SER  49           H        SER  49  15.076  15.997  22.351
  397    HA   SER  49           HA       SER  49  14.918  17.542  20.047
  398    HB2  SER  49           HB2      SER  49  12.666  16.902  21.981
  399    HB3  SER  49           HB3      SER  49  12.495  17.314  20.264
  400    HG   SER  49           HG       SER  49  12.459  15.051  20.776
  401    H    GLU  50           H        GLU  50  14.713  18.818  23.293
  402    HA   GLU  50           HA       GLU  50  13.525  21.372  22.503
  403    HB2  GLU  50           HB2      GLU  50  13.381  20.153  24.813
  404    HB3  GLU  50           HB3      GLU  50  14.992  20.813  25.116
  405    HG2  GLU  50           HG2      GLU  50  14.148  23.077  25.024
  406    HG3  GLU  50           HG3      GLU  50  12.611  22.545  24.342
  407    H    GLY  51           H        GLY  51  16.673  20.135  22.136
  408    HA2  GLY  51           HA2      GLY  51  18.422  22.084  22.930
  409    HA3  GLY  51           HA3      GLY  51  18.615  21.057  21.525
  410    H    GLU  52           H        GLU  52  16.281  22.419  20.102
  411    HA   GLU  52           HA       GLU  52  17.863  24.486  18.765
  412    HB2  GLU  52           HB2      GLU  52  14.970  23.608  18.597
  413    HB3  GLU  52           HB3      GLU  52  15.539  25.034  17.734
  414    HG2  GLU  52           HG2      GLU  52  16.811  22.286  17.411
  415    HG3  GLU  52           HG3      GLU  52  15.507  22.886  16.399
  416    H    GLN  53           H        GLN  53  15.476  24.527  21.378
  417    HA   GLN  53           HA       GLN  53  15.221  27.426  21.470
  418    HB2  GLN  53           HB2      GLN  53  13.509  25.787  22.257
  419    HB3  GLN  53           HB3      GLN  53  14.591  25.308  23.570
  420    HG2  GLN  53           HG2      GLN  53  14.472  27.557  24.544
  421    HG3  GLN  53           HG3      GLN  53  13.536  28.139  23.153
  422   HE21  GLN  53          HE21      GLN  53  13.390  25.857  25.974
  423   HE22  GLN  53          HE22      GLN  53  11.644  25.707  25.895
  424    H    LEU  54           H        LEU  54  17.296  24.996  23.113
  425    HA   LEU  54           HA       LEU  54  18.567  26.960  24.847
  426    HB2  LEU  54           HB2      LEU  54  19.444  24.126  24.115
  427    HB3  LEU  54           HB3      LEU  54  20.166  25.162  25.349
  428    HG   LEU  54           HG       LEU  54  18.861  23.698  26.560
  429   HD11  LEU  54          HD11      LEU  54  17.319  25.098  27.697
  430   HD12  LEU  54          HD12      LEU  54  18.525  26.196  27.012
  431   HD13  LEU  54          HD13      LEU  54  16.945  26.038  26.229
  432   HD21  LEU  54          HD21      LEU  54  17.484  22.732  24.780
  433   HD22  LEU  54          HD22      LEU  54  16.598  23.076  26.259
  434   HD23  LEU  54          HD23      LEU  54  16.403  24.145  24.861
  435    H    ARG  55           H        ARG  55  19.431  25.578  21.672
  436    HA   ARG  55           HA       ARG  55  21.907  26.960  21.311
  437    HB2  ARG  55           HB2      ARG  55  21.118  24.952  20.157
  438    HB3  ARG  55           HB3      ARG  55  19.691  25.797  19.555
  439    HG2  ARG  55           HG2      ARG  55  20.945  27.154  18.151
  440    HG3  ARG  55           HG3      ARG  55  22.517  26.573  18.788
  441    HD2  ARG  55           HD2      ARG  55  21.894  24.248  18.059
  442    HD3  ARG  55           HD3      ARG  55  20.416  24.879  17.338
  443    HE   ARG  55           HE       ARG  55  23.097  25.945  16.508
  444   HH11  ARG  55          HH12      ARG  55  20.229  24.110  15.375
  445   HH12  ARG  55          HH11      ARG  55  20.904  24.105  13.756
  446   HH21  ARG  55          HH22      ARG  55  23.617  26.048  14.519
  447   HH22  ARG  55          HH21      ARG  55  22.867  25.055  13.292
  448    H    GLY  56           H        GLY  56  18.493  27.801  20.740
  449    HA2  GLY  56           HA2      GLY  56  18.813  30.480  19.839
  450    HA3  GLY  56           HA3      GLY  56  17.431  29.821  20.717
  451    H    GLU  57           H        GLU  57  18.976  29.177  23.272
  452    HA   GLU  57           HA       GLU  57  18.818  31.786  24.451
  453    HB2  GLU  57           HB2      GLU  57  20.156  29.329  25.551
  454    HB3  GLU  57           HB3      GLU  57  19.956  30.844  26.412
  455    HG2  GLU  57           HG2      GLU  57  17.702  29.057  25.442
  456    HG3  GLU  57           HG3      GLU  57  18.400  29.189  27.054
  457    H    ILE  58           H        ILE  58  21.601  29.857  23.311
  458    HA   ILE  58           HA       ILE  58  23.669  31.646  24.157
  459    HB   ILE  58           HB       ILE  58  23.726  29.887  21.671
  460   HG12  ILE  58          HG12      ILE  58  24.778  29.004  24.390
  461   HG13  ILE  58          HG13      ILE  58  23.148  28.594  23.835
  462   HG21  ILE  58          HG21      ILE  58  26.148  29.922  21.914
  463   HG22  ILE  58          HG22      ILE  58  25.600  31.587  21.963
  464   HG23  ILE  58          HG23      ILE  58  26.035  30.775  23.468
  465   HD11  ILE  58          HD11      ILE  58  24.562  26.741  23.353
  466   HD12  ILE  58          HD12      ILE  58  24.155  27.508  21.807
  467   HD13  ILE  58          HD13      ILE  58  25.758  27.758  22.535
  468    H    TYR  59           H        TYR  59  21.923  31.401  20.986
  469    HA   TYR  59           HA       TYR  59  23.351  33.617  19.895
  470    HB2  TYR  59           HB2      TYR  59  21.960  31.711  18.726
  471    HB3  TYR  59           HB3      TYR  59  20.659  32.899  18.795
  472    HD1  TYR  59           HD1      TYR  59  21.101  35.242  17.747
  473    HD2  TYR  59           HD2      TYR  59  23.804  31.915  17.254
  474    HE1  TYR  59           HE1      TYR  59  22.219  36.406  15.837
  475    HE2  TYR  59           HE2      TYR  59  24.917  33.071  15.373
  476    HH   TYR  59           HH       TYR  59  25.010  34.952  14.094
  477    H    GLN  60           H        GLN  60  20.098  33.545  21.441
  478    HA   GLN  60           HA       GLN  60  19.638  36.330  20.971
  479    HB2  GLN  60           HB2      GLN  60  18.542  34.412  23.064
  480    HB3  GLN  60           HB3      GLN  60  17.974  36.078  22.861
  481    HG2  GLN  60           HG2      GLN  60  17.285  35.613  20.548
  482    HG3  GLN  60           HG3      GLN  60  17.906  33.968  20.659
  483   HE21  GLN  60          HE21      GLN  60  15.535  33.645  19.932
  484   HE22  GLN  60          HE22      GLN  60  14.383  33.433  21.263
  485    H    ALA  61           H        ALA  61  21.438  34.683  23.599
  486    HA   ALA  61           HA       ALA  61  21.639  37.123  25.197
  487    HB1  ALA  61           HB1      ALA  61  23.065  35.724  26.641
  488    HB2  ALA  61           HB2      ALA  61  21.519  34.942  26.268
  489    HB3  ALA  61           HB3      ALA  61  23.004  34.419  25.438
  490    H    TYR  62           H        TYR  62  23.891  35.330  23.038
  491    HA   TYR  62           HA       TYR  62  25.965  37.423  23.514
  492    HB2  TYR  62           HB2      TYR  62  26.357  34.548  22.656
  493    HB3  TYR  62           HB3      TYR  62  27.597  35.688  23.160
  494    HD1  TYR  62           HD2      TYR  62  27.289  36.722  25.600
  495    HD2  TYR  62           HD1      TYR  62  25.499  33.050  24.250
  496    HE1  TYR  62           HE2      TYR  62  26.892  36.055  27.954
  497    HE2  TYR  62           HE1      TYR  62  25.079  32.382  26.623
  498    HH   TYR  62           HH       TYR  62  25.948  34.535  29.350
  499    H    LYS  63           H        LYS  63  23.829  36.595  21.127
  500    HA   LYS  63           HA       LYS  63  23.652  36.753  18.907
  501    HB2  LYS  63           HB2      LYS  63  25.524  39.101  19.312
  502    HB3  LYS  63           HB3      LYS  63  24.559  38.829  17.860
  503    HG2  LYS  63           HG2      LYS  63  23.304  39.037  20.630
  504    HG3  LYS  63           HG3      LYS  63  23.599  40.445  19.625
  505    HD2  LYS  63           HD2      LYS  63  21.985  39.859  18.039
  506    HD3  LYS  63           HD3      LYS  63  22.035  38.148  18.447
  507    HE2  LYS  63           HE2      LYS  63  19.948  39.056  19.196
  508    HE3  LYS  63           HE3      LYS  63  20.912  38.528  20.570
  509    HZ1  LYS  63           HZ1      LYS  63  20.586  41.362  19.704
  510    HZ2  LYS  63           HZ2      LYS  63  19.849  40.637  20.979
  511    HZ3  LYS  63           HZ3      LYS  63  21.478  40.848  21.002
  512    H    HIS  64           H        HIS  64  25.199  34.777  19.664
  513    HA   HIS  64           HA       HIS  64  26.815  34.084  17.324
  514    HB2  HIS  64           HB2      HIS  64  28.343  35.284  19.074
  515    HB3  HIS  64           HB3      HIS  64  27.926  34.007  20.194
  516    HD1  HIS  64           HD1      HIS  64  28.785  31.407  19.278
  517    HD2  HIS  64           HD2      HIS  64  30.396  34.886  17.528
  518    HE1  HIS  64           HE1      HIS  64  30.982  30.730  18.220
  519    H    GLU  65           H        GLU  65  27.238  31.898  17.158
  520    HA   GLU  65           HA       GLU  65  25.241  30.243  18.621
  521    HB2  GLU  65           HB2      GLU  65  25.276  31.076  15.989
  522    HB3  GLU  65           HB3      GLU  65  26.123  29.646  15.810
  523    HG2  GLU  65           HG2      GLU  65  23.736  29.253  17.483
  524    HG3  GLU  65           HG3      GLU  65  23.384  30.038  15.947
  525    H    THR  66           H        THR  66  26.553  28.051  16.804
  526    HA   THR  66           HA       THR  66  28.492  27.172  18.931
  527    HB   THR  66           HB       THR  66  28.221  24.926  17.838
  528    HG1  THR  66           HG1      THR  66  25.940  26.074  16.585
  529   HG21  THR  66          HG21      THR  66  26.937  25.488  19.853
  530   HG22  THR  66          HG22      THR  66  26.000  24.456  18.760
  531   HG23  THR  66          HG23      THR  66  25.646  26.196  18.856
  532    H    VAL  67           H        VAL  67  30.523  26.647  18.505
  533    HA   VAL  67           HA       VAL  67  31.633  26.323  15.837
  534    HB   VAL  67           HB       VAL  67  33.397  27.949  16.026
  535   HG11  VAL  67          HG11      VAL  67  31.296  28.643  14.923
  536   HG12  VAL  67          HG12      VAL  67  30.791  29.432  16.430
  537   HG13  VAL  67          HG13      VAL  67  32.250  29.972  15.582
  538   HG21  VAL  67          HG21      VAL  67  33.379  29.754  17.716
  539   HG22  VAL  67          HG22      VAL  67  32.099  28.893  18.603
  540   HG23  VAL  67          HG23      VAL  67  33.711  28.169  18.413
  541    HA   PRO  68           HA       PRO  68  30.642  24.894  19.149
  542    HB2  PRO  68           HB2      PRO  68  31.525  23.949  21.534
  543    HB3  PRO  68           HB3      PRO  68  31.469  22.935  20.073
  544    HG2  PRO  68           HG2      PRO  68  33.839  24.474  21.190
  545    HG3  PRO  68           HG3      PRO  68  33.768  22.738  20.749
  546    HD2  PRO  68           HD2      PRO  68  34.731  24.587  19.021
  547    HD3  PRO  68           HD3      PRO  68  33.720  23.238  18.433
  548    H    ALA  69           H        ALA  69  29.849  25.680  21.387
  549    HA   ALA  69           HA       ALA  69  30.995  28.382  21.992
  550    HB1  ALA  69           HB1      ALA  69  28.864  28.763  23.197
  551    HB2  ALA  69           HB2      ALA  69  28.572  28.320  21.508
  552    HB3  ALA  69           HB3      ALA  69  28.329  27.127  22.799
  553    H    ILE  70           H        ILE  70  32.216  28.666  23.837
  554    HA   ILE  70           HA       ILE  70  32.242  26.472  25.867
  555    HB   ILE  70           HB       ILE  70  34.604  28.205  25.065
  556   HG12  ILE  70          HG12      ILE  70  35.316  25.627  24.339
  557   HG13  ILE  70          HG13      ILE  70  33.629  25.646  23.864
  558   HG21  ILE  70          HG21      ILE  70  35.910  26.531  26.352
  559   HG22  ILE  70          HG22      ILE  70  34.768  27.417  27.353
  560   HG23  ILE  70          HG23      ILE  70  34.395  25.754  26.857
  561   HD11  ILE  70          HD11      ILE  70  34.079  27.721  22.512
  562   HD12  ILE  70          HD12      ILE  70  35.781  27.648  23.016
  563   HD13  ILE  70          HD13      ILE  70  35.097  26.356  22.013
  564    H    PHE  71           H        PHE  71  32.034  27.001  27.950
  565    HA   PHE  71           HA       PHE  71  32.202  29.862  28.755
  566    HB2  PHE  71           HB2      PHE  71  30.181  27.775  29.628
  567    HB3  PHE  71           HB3      PHE  71  30.369  29.371  30.349
  568    HD1  PHE  71           HD2      PHE  71  29.371  27.550  27.257
  569    HD2  PHE  71           HD1      PHE  71  29.504  31.367  29.260
  570    HE1  PHE  71           HE2      PHE  71  27.913  28.538  25.497
  571    HE2  PHE  71           HE1      PHE  71  28.017  32.326  27.521
  572    HZ   PHE  71           HZ       PHE  71  27.224  30.899  25.634
  573    H    ILE  72           H        ILE  72  33.537  30.247  30.435
  574    HA   ILE  72           HA       ILE  72  34.447  27.981  32.170
  575    HB   ILE  72           HB       ILE  72  36.210  30.208  31.070
  576   HG12  ILE  72          HG12      ILE  72  35.764  27.345  30.176
  577   HG13  ILE  72          HG13      ILE  72  35.773  28.819  29.218
  578   HG21  ILE  72          HG21      ILE  72  38.046  28.890  32.152
  579   HG22  ILE  72          HG22      ILE  72  36.878  29.465  33.322
  580   HG23  ILE  72          HG23      ILE  72  36.834  27.771  32.815
  581   HD11  ILE  72          HD11      ILE  72  37.737  27.556  28.686
  582   HD12  ILE  72          HD12      ILE  72  38.260  28.983  29.609
  583   HD13  ILE  72          HD13      ILE  72  38.167  27.380  30.393
  584    H    ASN  73           H        ASN  73  34.094  28.365  34.259
  585    HA   ASN  73           HA       ASN  73  33.189  29.386  36.078
  586    HB2  ASN  73           HB2      ASN  73  35.232  31.543  35.409
  587    HB3  ASN  73           HB3      ASN  73  34.505  31.262  36.986
  588   HD21  ASN  73          HD21      ASN  73  37.295  31.309  36.617
  589   HD22  ASN  73          HD22      ASN  73  37.890  29.664  36.883
  590    H    GLY  74           H        GLY  74  31.533  29.757  33.874
  591    HA2  GLY  74           HA2      GLY  74  29.640  30.949  33.263
  592    HA3  GLY  74           HA3      GLY  74  29.954  32.115  34.507
  593    H    ASN  75           H        ASN  75  32.712  32.039  32.511
  594    HA   ASN  75           HA       ASN  75  31.784  34.413  30.987
  595    HB2  ASN  75           HB2      ASN  75  34.530  33.431  31.853
  596    HB3  ASN  75           HB3      ASN  75  34.312  34.748  30.727
  597   HD21  ASN  75          HD21      ASN  75  34.248  33.926  34.074
  598   HD22  ASN  75          HD22      ASN  75  33.847  35.564  34.584
  599    H    PHE  76           H        PHE  76  31.899  34.598  28.773
  600    HA   PHE  76           HA       PHE  76  31.887  32.048  27.330
  601    HB2  PHE  76           HB2      PHE  76  30.092  33.610  26.943
  602    HB3  PHE  76           HB3      PHE  76  31.224  34.893  26.539
  603    HD1  PHE  76           HD2      PHE  76  30.387  31.377  25.412
  604    HD2  PHE  76           HD1      PHE  76  31.623  35.351  24.273
  605    HE1  PHE  76           HE2      PHE  76  30.358  30.712  23.022
  606    HE2  PHE  76           HE1      PHE  76  31.597  34.673  21.886
  607    HZ   PHE  76           HZ       PHE  76  30.963  32.359  21.257
  608    H    ILE  77           H        ILE  77  33.236  31.279  25.868
  609    HA   ILE  77           HA       ILE  77  35.175  32.993  24.446
  610    HB   ILE  77           HB       ILE  77  35.821  30.315  25.734
  611   HG12  ILE  77          HG12      ILE  77  36.127  32.217  27.261
  612   HG13  ILE  77          HG13      ILE  77  37.637  31.426  26.867
  613   HG21  ILE  77          HG21      ILE  77  36.782  30.187  23.531
  614   HG22  ILE  77          HG22      ILE  77  37.437  31.834  23.647
  615   HG23  ILE  77          HG23      ILE  77  38.086  30.533  24.662
  616   HD11  ILE  77          HD11      ILE  77  38.261  33.259  25.338
  617   HD12  ILE  77          HD12      ILE  77  36.705  34.063  25.636
  618   HD13  ILE  77          HD13      ILE  77  37.874  33.879  26.949
  619    H    GLY  78           H        GLY  78  35.152  32.646  22.293
  620    HA2  GLY  78           HA2      GLY  78  33.973  30.091  21.237
  621    HA3  GLY  78           HA3      GLY  78  33.614  31.644  20.500
  622    H    GLY  79           H        GLY  79  35.443  28.998  20.215
  623    HA2  GLY  79           HA2      GLY  79  36.391  28.915  17.879
  624    HA3  GLY  79           HA3      GLY  79  37.461  30.219  18.381
  625    H    CYS  80           H        CYS  80  37.731  27.123  17.683
  626    HA   CYS  80           HA       CYS  80  38.775  25.816  19.987
  627    HB2  CYS  80           HB2      CYS  80  39.514  25.418  17.045
  628    HB3  CYS  80           HB3      CYS  80  39.893  24.307  18.372
  629    HG   CYS  80           HG       CYS  80  36.972  25.270  17.159
  630    H    SER  81           H        SER  81  40.531  27.725  17.497
  631    HA   SER  81           HA       SER  81  43.080  27.567  18.846
  632    HB2  SER  81           HB2      SER  81  42.391  28.254  16.375
  633    HB3  SER  81           HB3      SER  81  42.541  29.882  17.063
  634    HG   SER  81           HG       SER  81  44.692  29.175  17.801
  635    H    ASP  82           H        ASP  82  40.357  29.844  19.016
  636    HA   ASP  82           HA       ASP  82  41.553  31.885  20.572
  637    HB2  ASP  82           HB2      ASP  82  39.146  31.445  19.331
  638    HB3  ASP  82           HB3      ASP  82  38.642  31.258  20.990
  639    H    LEU  83           H        LEU  83  39.957  28.903  21.552
  640    HA   LEU  83           HA       LEU  83  40.187  29.240  24.421
  641    HB2  LEU  83           HB2      LEU  83  38.532  27.767  23.409
  642    HB3  LEU  83           HB3      LEU  83  39.781  26.866  22.559
  643    HG   LEU  83           HG       LEU  83  40.661  26.012  24.723
  644   HD11  LEU  83          HD11      LEU  83  39.907  27.786  26.253
  645   HD12  LEU  83          HD12      LEU  83  38.210  27.402  25.893
  646   HD13  LEU  83          HD13      LEU  83  39.238  26.228  26.751
  647   HD21  LEU  83          HD21      LEU  83  37.696  25.509  24.270
  648   HD22  LEU  83          HD22      LEU  83  39.027  24.745  23.375
  649   HD23  LEU  83          HD23      LEU  83  38.847  24.432  25.100
  650    H    GLU  84           H        GLU  84  42.169  27.497  21.991
  651    HA   GLU  84           HA       GLU  84  44.128  26.515  23.849
  652    HB2  GLU  84           HB2      GLU  84  44.042  26.843  20.836
  653    HB3  GLU  84           HB3      GLU  84  45.520  26.329  21.664
  654    HG2  GLU  84           HG2      GLU  84  44.442  24.455  22.683
  655    HG3  GLU  84           HG3      GLU  84  42.858  24.962  22.101
  656    H    ALA  85           H        ALA  85  43.878  29.611  22.168
  657    HA   ALA  85           HA       ALA  85  46.501  30.614  22.590
  658    HB1  ALA  85           HB1      ALA  85  44.813  31.742  21.207
  659    HB2  ALA  85           HB2      ALA  85  43.750  31.975  22.606
  660    HB3  ALA  85           HB3      ALA  85  45.296  32.828  22.525
  661    H    LEU  86           H        LEU  86  43.703  30.551  24.839
  662    HA   LEU  86           HA       LEU  86  45.080  31.967  26.977
  663    HB2  LEU  86           HB2      LEU  86  42.684  30.080  27.075
  664    HB3  LEU  86           HB3      LEU  86  43.195  31.179  28.353
  665    HG   LEU  86           HG       LEU  86  42.146  32.025  25.619
  666   HD11  LEU  86          HD11      LEU  86  40.886  32.129  28.393
  667   HD12  LEU  86          HD12      LEU  86  40.189  32.784  26.897
  668   HD13  LEU  86          HD13      LEU  86  40.422  31.038  27.064
  669   HD21  LEU  86          HD21      LEU  86  43.706  33.707  26.490
  670   HD22  LEU  86          HD22      LEU  86  42.048  34.292  26.616
  671   HD23  LEU  86          HD23      LEU  86  42.873  33.693  28.071
  672    H    ASP  87           H        ASP  87  44.757  28.576  26.029
  673    HA   ASP  87           HA       ASP  87  45.930  27.408  28.360
  674    HB2  ASP  87           HB2      ASP  87  44.507  26.333  26.486
  675    HB3  ASP  87           HB3      ASP  87  46.000  26.224  25.574
  676    H    LYS  88           H        LYS  88  47.405  28.630  25.388
  677    HA   LYS  88           HA       LYS  88  50.152  27.936  26.105
  678    HB2  LYS  88           HB2      LYS  88  48.901  29.820  24.071
  679    HB3  LYS  88           HB3      LYS  88  50.625  29.871  24.405
  680    HG2  LYS  88           HG2      LYS  88  50.433  28.491  22.551
  681    HG3  LYS  88           HG3      LYS  88  50.784  27.412  23.903
  682    HD2  LYS  88           HD2      LYS  88  48.362  26.775  24.003
  683    HD3  LYS  88           HD3      LYS  88  48.045  27.920  22.673
  684    HE2  LYS  88           HE2      LYS  88  49.687  26.718  21.244
  685    HE3  LYS  88           HE3      LYS  88  49.889  25.501  22.523
  686    HZ1  LYS  88           HZ1      LYS  88  47.435  26.094  20.984
  687    HZ2  LYS  88           HZ2      LYS  88  48.347  24.709  20.929
  688    HZ3  LYS  88           HZ3      LYS  88  47.486  25.062  22.293
  689    H    GLU  89           H        GLU  89  48.269  30.913  26.597
  690    HA   GLU  89           HA       GLU  89  50.623  32.339  27.548
  691    HB2  GLU  89           HB2      GLU  89  47.706  33.081  27.162
  692    HB3  GLU  89           HB3      GLU  89  48.906  34.232  27.737
  693    HG2  GLU  89           HG2      GLU  89  49.084  32.748  25.081
  694    HG3  GLU  89           HG3      GLU  89  48.513  34.396  25.290
  695    H    GLY  90           H        GLY  90  49.175  30.152  29.340
  696    HA2  GLY  90           HA2      GLY  90  49.085  29.813  31.630
  697    HA3  GLY  90           HA3      GLY  90  49.772  31.420  31.871
  698    H    LYS  91           H        LYS  91  46.989  31.723  29.942
  699    HA   LYS  91           HA       LYS  91  45.618  33.084  32.151
  700    HB2  LYS  91           HB2      LYS  91  45.390  33.112  29.108
  701    HB3  LYS  91           HB3      LYS  91  44.319  33.989  30.183
  702    HG2  LYS  91           HG2      LYS  91  46.367  35.105  31.204
  703    HG3  LYS  91           HG3      LYS  91  47.316  34.388  29.906
  704    HD2  LYS  91           HD2      LYS  91  45.046  36.398  29.588
  705    HD3  LYS  91           HD3      LYS  91  46.776  36.728  29.462
  706    HE2  LYS  91           HE2      LYS  91  46.866  35.091  27.515
  707    HE3  LYS  91           HE3      LYS  91  45.104  35.008  27.583
  708    HZ1  LYS  91           HZ1      LYS  91  45.128  37.484  27.218
  709    HZ2  LYS  91           HZ2      LYS  91  46.742  37.414  26.981
  710    HZ3  LYS  91           HZ3      LYS  91  45.763  36.624  25.960
  711    H    LEU  92           H        LEU  92  45.405  30.037  30.784
  712    HA   LEU  92           HA       LEU  92  42.586  29.671  31.667
  713    HB2  LEU  92           HB2      LEU  92  43.150  29.039  29.320
  714    HB3  LEU  92           HB3      LEU  92  44.375  27.935  29.915
  715    HG   LEU  92           HG       LEU  92  42.725  26.487  30.913
  716   HD11  LEU  92          HD11      LEU  92  40.306  26.874  30.649
  717   HD12  LEU  92          HD12      LEU  92  41.044  28.049  31.726
  718   HD13  LEU  92          HD13      LEU  92  40.638  28.524  30.057
  719   HD21  LEU  92          HD21      LEU  92  41.455  25.841  28.859
  720   HD22  LEU  92          HD22      LEU  92  41.894  27.386  28.118
  721   HD23  LEU  92          HD23      LEU  92  43.158  26.210  28.508
  722    H    ASP  93           H        ASP  93  45.926  28.369  32.010
  723    HA   ASP  93           HA       ASP  93  45.487  26.591  34.165
  724    HB2  ASP  93           HB2      ASP  93  47.800  28.481  33.556
  725    HB3  ASP  93           HB3      ASP  93  47.849  27.198  34.752
  726    H    GLY  94           H        GLY  94  45.953  30.160  34.209
  727    HA2  GLY  94           HA2      GLY  94  45.677  30.538  37.029
  728    HA3  GLY  94           HA3      GLY  94  45.423  31.752  35.774
  729    H    LEU  95           H        LEU  95  43.159  29.918  34.617
  730    HA   LEU  95           HA       LEU  95  40.972  30.891  36.349
  731    HB2  LEU  95           HB2      LEU  95  41.153  29.558  33.622
  732    HB3  LEU  95           HB3      LEU  95  39.620  29.745  34.456
  733    HG   LEU  95           HG       LEU  95  41.454  32.069  33.759
  734   HD11  LEU  95          HD11      LEU  95  40.609  30.923  31.720
  735   HD12  LEU  95          HD12      LEU  95  38.943  31.108  32.322
  736   HD13  LEU  95          HD13      LEU  95  39.918  32.535  31.916
  737   HD21  LEU  95          HD21      LEU  95  38.536  31.965  34.646
  738   HD22  LEU  95          HD22      LEU  95  39.899  32.631  35.578
  739   HD23  LEU  95          HD23      LEU  95  39.385  33.414  34.081
  740    H    LEU  96           H        LEU  96  42.634  27.879  35.631
  741    HA   LEU  96           HA       LEU  96  40.640  26.124  36.762
  742    HB2  LEU  96           HB2      LEU  96  43.621  25.789  36.224
  743    HB3  LEU  96           HB3      LEU  96  42.599  24.467  36.773
  744    HG   LEU  96           HG       LEU  96  42.171  25.952  34.141
  745   HD11  LEU  96          HD11      LEU  96  43.162  24.014  33.120
  746   HD12  LEU  96          HD12      LEU  96  44.275  24.527  34.370
  747   HD13  LEU  96          HD13      LEU  96  43.215  23.137  34.668
  748   HD21  LEU  96          HD21      LEU  96  40.073  25.128  34.940
  749   HD22  LEU  96          HD22      LEU  96  40.653  24.018  33.721
  750   HD23  LEU  96          HD23      LEU  96  40.792  23.569  35.425
  751    H    SER  97           H        SER  97  43.553  27.574  38.212
  752    HA   SER  97           HA       SER  97  42.435  27.378  40.910
  753    HB2  SER  97           HB2      SER  97  44.855  25.669  40.175
  754    HB3  SER  97           HB3      SER  97  44.368  26.068  41.835
  755    HG   SER  97           HG       SER  97  42.293  25.169  40.288
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  18.651  35.092  29.428
    2    H2   GLY   1           H2       GLY   1  17.202  35.145  28.631
    3    H3   GLY   1           H3       GLY   1  18.041  33.733  28.723
    4    HA2  GLY   1           HA2      GLY   1  16.822  35.186  30.972
    5    HA3  GLY   1           HA3      GLY   1  16.192  33.693  30.233
    6    H    ALA   2           H        ALA   2  17.808  34.804  32.851
    7    HA   ALA   2           HA       ALA   2  20.106  33.109  32.986
    8    HB1  ALA   2           HB1      ALA   2  20.243  33.948  35.296
    9    HB2  ALA   2           HB2      ALA   2  19.938  35.249  34.134
   10    HB3  ALA   2           HB3      ALA   2  18.609  34.632  35.147
   11    H    MET   3           H        MET   3  16.748  32.500  33.958
   12    HA   MET   3           HA       MET   3  17.643  30.438  35.879
   13    HB2  MET   3           HB2      MET   3  14.986  31.865  35.626
   14    HB3  MET   3           HB3      MET   3  15.434  30.699  36.876
   15    HG2  MET   3           HG2      MET   3  16.748  33.389  36.363
   16    HG3  MET   3           HG3      MET   3  15.700  32.968  37.714
   17    HE1  MET   3           HE1      MET   3  17.696  34.165  39.153
   18    HE2  MET   3           HE2      MET   3  19.354  33.539  39.214
   19    HE3  MET   3           HE3      MET   3  18.750  34.306  37.727
   20    HA   PRO   4           HA       PRO   4  14.547  27.617  33.790
   21    HB2  PRO   4           HB2      PRO   4  13.563  28.014  31.279
   22    HB3  PRO   4           HB3      PRO   4  12.819  28.729  32.742
   23    HG2  PRO   4           HG2      PRO   4  14.732  30.043  30.790
   24    HG3  PRO   4           HG3      PRO   4  13.200  30.693  31.454
   25    HD2  PRO   4           HD2      PRO   4  15.654  31.320  32.478
   26    HD3  PRO   4           HD3      PRO   4  14.198  31.198  33.517
   27    H    SER   5           H        SER   5  16.924  29.194  31.710
   28    HA   SER   5           HA       SER   5  17.609  26.600  30.394
   29    HB2  SER   5           HB2      SER   5  17.591  29.385  29.214
   30    HB3  SER   5           HB3      SER   5  17.942  27.865  28.362
   31    HG   SER   5           HG       SER   5  15.684  28.678  28.230
   32    H    ILE   6           H        ILE   6  19.720  27.453  28.889
   33    HA   ILE   6           HA       ILE   6  21.453  26.142  30.446
   34    HB   ILE   6           HB       ILE   6  23.049  26.233  28.773
   35   HG12  ILE   6          HG12      ILE   6  21.826  28.834  27.894
   36   HG13  ILE   6          HG13      ILE   6  23.498  28.499  28.301
   37   HG21  ILE   6          HG21      ILE   6  21.917  25.375  27.038
   38   HG22  ILE   6          HG22      ILE   6  20.805  25.154  28.389
   39   HG23  ILE   6          HG23      ILE   6  20.541  26.492  27.223
   40   HD11  ILE   6          HD11      ILE   6  22.034  27.572  25.788
   41   HD12  ILE   6          HD12      ILE   6  23.269  28.837  25.909
   42   HD13  ILE   6          HD13      ILE   6  23.702  27.141  26.198
   43    H    ALA   7           H        ALA   7  21.280  29.566  30.388
   44    HA   ALA   7           HA       ALA   7  23.737  30.457  31.457
   45    HB1  ALA   7           HB1      ALA   7  22.313  32.212  32.554
   46    HB2  ALA   7           HB2      ALA   7  21.918  31.971  30.849
   47    HB3  ALA   7           HB3      ALA   7  20.873  31.266  32.095
   48    H    SER   8           H        SER   8  21.085  28.728  33.161
   49    HA   SER   8           HA       SER   8  22.223  29.021  35.835
   50    HB2  SER   8           HB2      SER   8  20.137  27.191  34.586
   51    HB3  SER   8           HB3      SER   8  20.667  27.032  36.271
   52    HG   SER   8           HG       SER   8  19.642  29.429  35.102
   53    H    MET   9           H        MET   9  22.632  26.626  33.237
   54    HA   MET   9           HA       MET   9  23.865  24.554  34.796
   55    HB2  MET   9           HB2      MET   9  24.298  25.173  31.842
   56    HB3  MET   9           HB3      MET   9  24.576  23.643  32.662
   57    HG2  MET   9           HG2      MET   9  22.196  23.324  33.029
   58    HG3  MET   9           HG3      MET   9  21.831  24.941  32.455
   59    HE1  MET   9           HE1      MET   9  23.119  21.376  31.370
   60    HE2  MET   9           HE2      MET   9  23.220  21.547  29.606
   61    HE3  MET   9           HE3      MET   9  24.386  22.398  30.641
   62    H    ILE  10           H        ILE  10  25.140  27.467  33.232
   63    HA   ILE  10           HA       ILE  10  27.906  26.885  33.360
   64    HB   ILE  10           HB       ILE  10  26.866  29.693  33.774
   65   HG12  ILE  10          HG12      ILE  10  25.396  28.919  32.049
   66   HG13  ILE  10          HG13      ILE  10  26.578  30.004  31.367
   67   HG21  ILE  10          HG21      ILE  10  28.766  30.201  32.223
   68   HG22  ILE  10          HG22      ILE  10  29.255  29.467  33.752
   69   HG23  ILE  10          HG23      ILE  10  29.219  28.478  32.285
   70   HD11  ILE  10          HD11      ILE  10  27.807  28.059  30.395
   71   HD12  ILE  10          HD12      ILE  10  26.586  26.964  31.085
   72   HD13  ILE  10          HD13      ILE  10  26.122  28.141  29.851
   73    H    LYS  11           H        LYS  11  25.731  27.705  35.960
   74    HA   LYS  11           HA       LYS  11  27.979  28.240  37.839
   75    HB2  LYS  11           HB2      LYS  11  24.975  28.351  38.289
   76    HB3  LYS  11           HB3      LYS  11  26.228  28.700  39.478
   77    HG2  LYS  11           HG2      LYS  11  25.687  30.799  38.823
   78    HG3  LYS  11           HG3      LYS  11  27.103  30.488  37.815
   79    HD2  LYS  11           HD2      LYS  11  25.689  30.136  35.855
   80    HD3  LYS  11           HD3      LYS  11  24.223  30.136  36.865
   81    HE2  LYS  11           HE2      LYS  11  24.762  32.472  37.556
   82    HE3  LYS  11           HE3      LYS  11  26.123  32.484  36.420
   83    HZ1  LYS  11           HZ1      LYS  11  24.579  32.343  34.601
   84    HZ2  LYS  11           HZ2      LYS  11  23.321  31.946  35.612
   85    HZ3  LYS  11           HZ3      LYS  11  23.939  33.446  35.650
   86    H    GLY  12           H        GLY  12  26.453  25.491  36.687
   87    HA2  GLY  12           HA2      GLY  12  26.607  23.925  39.195
   88    HA3  GLY  12           HA3      GLY  12  25.983  23.398  37.631
   89    H    ASN  13           H        ASN  13  28.533  24.388  36.242
   90    HA   ASN  13           HA       ASN  13  30.561  22.509  37.333
   91    HB2  ASN  13           HB2      ASN  13  29.445  22.508  34.507
   92    HB3  ASN  13           HB3      ASN  13  30.978  21.762  34.919
   93   HD21  ASN  13          HD21      ASN  13  30.812  20.236  36.957
   94   HD22  ASN  13          HD22      ASN  13  29.439  19.126  36.880
   95    H    LYS  14           H        LYS  14  32.704  22.841  36.575
   96    HA   LYS  14           HA       LYS  14  33.368  25.674  36.707
   97    HB2  LYS  14           HB2      LYS  14  34.583  23.871  37.894
   98    HB3  LYS  14           HB3      LYS  14  35.215  23.267  36.363
   99    HG2  LYS  14           HG2      LYS  14  36.655  25.053  36.059
  100    HG3  LYS  14           HG3      LYS  14  35.616  26.188  36.935
  101    HD2  LYS  14           HD2      LYS  14  37.466  26.002  38.299
  102    HD3  LYS  14           HD3      LYS  14  36.283  24.952  39.083
  103    HE2  LYS  14           HE2      LYS  14  37.374  22.989  37.913
  104    HE3  LYS  14           HE3      LYS  14  38.566  24.109  37.236
  105    HZ1  LYS  14           HZ1      LYS  14  39.459  23.103  39.170
  106    HZ2  LYS  14           HZ2      LYS  14  39.142  24.682  39.616
  107    HZ3  LYS  14           HZ3      LYS  14  38.147  23.472  40.088
  108    H    VAL  15           H        VAL  15  33.544  23.293  34.130
  109    HA   VAL  15           HA       VAL  15  33.747  25.546  32.190
  110    HB   VAL  15           HB       VAL  15  35.176  22.923  31.697
  111   HG11  VAL  15          HG11      VAL  15  34.984  25.474  30.071
  112   HG12  VAL  15          HG12      VAL  15  36.101  24.134  29.734
  113   HG13  VAL  15          HG13      VAL  15  34.356  23.879  29.642
  114   HG21  VAL  15          HG21      VAL  15  36.328  25.647  32.389
  115   HG22  VAL  15          HG22      VAL  15  36.460  24.168  33.352
  116   HG23  VAL  15          HG23      VAL  15  37.268  24.263  31.785
  117    H    VAL  16           H        VAL  16  32.082  25.600  30.881
  118    HA   VAL  16           HA       VAL  16  30.490  23.107  30.379
  119    HB   VAL  16           HB       VAL  16  29.382  25.902  30.771
  120   HG11  VAL  16          HG11      VAL  16  28.067  24.681  29.083
  121   HG12  VAL  16          HG12      VAL  16  28.032  23.236  30.121
  122   HG13  VAL  16          HG13      VAL  16  27.178  24.713  30.608
  123   HG21  VAL  16          HG21      VAL  16  29.207  23.334  32.405
  124   HG22  VAL  16          HG22      VAL  16  29.968  24.859  32.915
  125   HG23  VAL  16          HG23      VAL  16  28.216  24.771  32.704
  126    H    VAL  17           H        VAL  17  30.228  22.583  28.298
  127    HA   VAL  17           HA       VAL  17  30.685  24.637  26.160
  128    HB   VAL  17           HB       VAL  17  31.811  21.806  26.309
  129   HG11  VAL  17          HG11      VAL  17  32.883  22.313  24.120
  130   HG12  VAL  17          HG12      VAL  17  31.137  22.204  23.976
  131   HG13  VAL  17          HG13      VAL  17  31.924  23.805  24.000
  132   HG21  VAL  17          HG21      VAL  17  33.977  23.042  26.033
  133   HG22  VAL  17          HG22      VAL  17  33.083  24.565  26.226
  134   HG23  VAL  17          HG23      VAL  17  33.152  23.389  27.554
  135    H    PHE  18           H        PHE  18  29.486  24.418  24.262
  136    HA   PHE  18           HA       PHE  18  27.244  22.414  24.340
  137    HB2  PHE  18           HB2      PHE  18  27.202  25.243  23.234
  138    HB3  PHE  18           HB3      PHE  18  25.876  24.088  23.193
  139    HD1  PHE  18           HD2      PHE  18  24.751  23.380  25.323
  140    HD2  PHE  18           HD1      PHE  18  27.709  26.512  25.254
  141    HE1  PHE  18           HE2      PHE  18  24.052  24.097  27.607
  142    HE2  PHE  18           HE1      PHE  18  26.979  27.237  27.520
  143    HZ   PHE  18           HZ       PHE  18  25.157  26.061  28.679
  144    H    SER  19           H        SER  19  27.385  20.936  22.773
  145    HA   SER  19           HA       SER  19  28.723  21.603  20.190
  146    HB2  SER  19           HB2      SER  19  29.231  19.057  21.771
  147    HB3  SER  19           HB3      SER  19  29.902  19.463  20.171
  148    HG   SER  19           HG       SER  19  31.350  19.745  21.744
  149    H    TRP  20           H        TRP  20  28.519  19.849  18.581
  150    HA   TRP  20           HA       TRP  20  26.044  18.181  18.755
  151    HB2  TRP  20           HB2      TRP  20  27.318  19.542  16.361
  152    HB3  TRP  20           HB3      TRP  20  26.165  18.234  16.215
  153    HD1  TRP  20           HD1      TRP  20  24.206  19.573  18.627
  154    HE1  TRP  20           HE1      TRP  20  22.430  21.157  17.617
  155    HE3  TRP  20           HE3      TRP  20  26.642  20.967  14.337
  156    HZ2  TRP  20           HZ2      TRP  20  22.266  23.063  15.470
  157    HZ3  TRP  20           HZ3      TRP  20  25.687  22.730  12.874
  158    HH2  TRP  20           HH2      TRP  20  23.521  23.786  13.434
  159    H    VAL  21           H        VAL  21  26.178  16.136  17.714
  160    HA   VAL  21           HA       VAL  21  28.562  14.587  17.846
  161    HB   VAL  21           HB       VAL  21  26.265  13.656  17.785
  162   HG11  VAL  21          HG11      VAL  21  25.056  13.372  15.685
  163   HG12  VAL  21          HG12      VAL  21  25.285  15.096  15.995
  164   HG13  VAL  21          HG13      VAL  21  26.293  14.261  14.793
  165   HG21  VAL  21          HG21      VAL  21  26.736  11.700  16.492
  166   HG22  VAL  21          HG22      VAL  21  27.929  12.537  15.496
  167   HG23  VAL  21          HG23      VAL  21  28.253  12.242  17.221
  168    H    THR  22           H        THR  22  29.825  13.706  15.933
  169    HA   THR  22           HA       THR  22  30.915  15.993  16.580
  170    HB   THR  22           HB       THR  22  32.375  13.969  14.854
  171    HG1  THR  22           HG1      THR  22  32.673  12.833  16.716
  172   HG21  THR  22          HG21      THR  22  33.245  15.714  17.207
  173   HG22  THR  22          HG22      THR  22  33.711  15.933  15.500
  174   HG23  THR  22          HG23      THR  22  34.260  14.516  16.383
  175    H    CYS  23           H        CYS  23  31.482  17.795  15.793
  176    HA   CYS  23           HA       CYS  23  31.450  18.325  12.885
  177    HB2  CYS  23           HB2      CYS  23  30.419  20.039  15.170
  178    HB3  CYS  23           HB3      CYS  23  30.570  20.584  13.492
  179    HG   CYS  23           HG       CYS  23  28.898  17.896  14.503
  180    HA   PRO  24           HA       PRO  24  35.499  19.133  12.896
  181    HB2  PRO  24           HB2      PRO  24  35.152  21.712  11.359
  182    HB3  PRO  24           HB3      PRO  24  36.201  20.309  10.990
  183    HG2  PRO  24           HG2      PRO  24  33.844  20.602   9.701
  184    HG3  PRO  24           HG3      PRO  24  34.318  18.987  10.329
  185    HD2  PRO  24           HD2      PRO  24  32.445  21.018  11.566
  186    HD3  PRO  24           HD3      PRO  24  32.234  19.264  11.340
  187    H    TYR  25           H        TYR  25  33.950  22.001  14.281
  188    HA   TYR  25           HA       TYR  25  36.528  22.799  15.549
  189    HB2  TYR  25           HB2      TYR  25  33.714  23.908  15.651
  190    HB3  TYR  25           HB3      TYR  25  35.011  24.542  16.631
  191    HD1  TYR  25           HD2      TYR  25  37.381  24.653  14.974
  192    HD2  TYR  25           HD1      TYR  25  33.296  25.655  13.995
  193    HE1  TYR  25           HE2      TYR  25  38.182  26.317  13.305
  194    HE2  TYR  25           HE1      TYR  25  34.105  27.323  12.355
  195    HH   TYR  25           HH       TYR  25  35.932  28.454  11.557
  196    H    CYS  26           H        CYS  26  33.336  21.588  16.519
  197    HA   CYS  26           HA       CYS  26  33.648  21.688  19.300
  198    HB2  CYS  26           HB2      CYS  26  32.192  20.079  17.258
  199    HB3  CYS  26           HB3      CYS  26  32.217  19.417  18.864
  200    HG   CYS  26           HG       CYS  26  31.097  21.511  19.993
  201    H    VAL  27           H        VAL  27  34.607  19.104  17.093
  202    HA   VAL  27           HA       VAL  27  35.607  17.083  18.693
  203    HB   VAL  27           HB       VAL  27  35.379  17.278  16.373
  204   HG11  VAL  27          HG11      VAL  27  36.191  19.317  15.881
  205   HG12  VAL  27          HG12      VAL  27  37.862  18.625  15.826
  206   HG13  VAL  27          HG13      VAL  27  36.601  18.037  14.729
  207   HG21  VAL  27          HG21      VAL  27  38.185  16.319  17.057
  208   HG22  VAL  27          HG22      VAL  27  36.706  15.365  17.317
  209   HG23  VAL  27          HG23      VAL  27  37.223  15.761  15.670
  210    H    ARG  28           H        ARG  28  37.251  19.610  17.338
  211    HA   ARG  28           HA       ARG  28  39.871  19.412  18.446
  212    HB2  ARG  28           HB2      ARG  28  38.766  22.224  18.053
  213    HB3  ARG  28           HB3      ARG  28  40.425  21.659  17.928
  214    HG2  ARG  28           HG2      ARG  28  39.671  20.291  15.904
  215    HG3  ARG  28           HG3      ARG  28  38.132  21.163  16.034
  216    HD2  ARG  28           HD2      ARG  28  39.285  23.304  15.696
  217    HD3  ARG  28           HD3      ARG  28  40.847  22.458  15.618
  218    HE   ARG  28           HE       ARG  28  38.929  21.346  13.754
  219   HH11  ARG  28          HH12      ARG  28  41.050  24.176  13.943
  220   HH12  ARG  28          HH11      ARG  28  41.192  24.223  12.193
  221   HH21  ARG  28          HH22      ARG  28  39.423  21.313  11.726
  222   HH22  ARG  28          HH21      ARG  28  40.272  22.639  10.934
  223    H    ALA  29           H        ALA  29  37.336  21.555  19.778
  224    HA   ALA  29           HA       ALA  29  38.828  22.209  22.139
  225    HB1  ALA  29           HB1      ALA  29  37.023  23.630  21.287
  226    HB2  ALA  29           HB2      ALA  29  35.826  22.352  21.611
  227    HB3  ALA  29           HB3      ALA  29  36.693  23.132  22.959
  228    H    GLU  30           H        GLU  30  36.156  19.811  21.645
  229    HA   GLU  30           HA       GLU  30  36.129  18.802  24.327
  230    HB2  GLU  30           HB2      GLU  30  35.473  17.489  21.636
  231    HB3  GLU  30           HB3      GLU  30  35.150  16.757  23.200
  232    HG2  GLU  30           HG2      GLU  30  33.666  18.690  23.789
  233    HG3  GLU  30           HG3      GLU  30  33.893  19.347  22.159
  234    H    LYS  31           H        LYS  31  38.316  17.987  21.671
  235    HA   LYS  31           HA       LYS  31  39.503  15.756  23.048
  236    HB2  LYS  31           HB2      LYS  31  39.587  15.942  20.615
  237    HB3  LYS  31           HB3      LYS  31  40.285  17.547  20.718
  238    HG2  LYS  31           HG2      LYS  31  42.395  16.527  21.676
  239    HG3  LYS  31           HG3      LYS  31  41.660  14.929  21.440
  240    HD2  LYS  31           HD2      LYS  31  43.112  15.448  19.561
  241    HD3  LYS  31           HD3      LYS  31  41.415  15.447  19.013
  242    HE2  LYS  31           HE2      LYS  31  41.314  17.812  18.913
  243    HE3  LYS  31           HE3      LYS  31  42.826  18.017  19.820
  244    HZ1  LYS  31           HZ1      LYS  31  42.708  16.745  17.142
  245    HZ2  LYS  31           HZ2      LYS  31  42.969  18.343  17.365
  246    HZ3  LYS  31           HZ3      LYS  31  44.056  17.265  17.939
  247    H    LEU  32           H        LEU  32  40.540  19.109  22.486
  248    HA   LEU  32           HA       LEU  32  42.980  19.175  23.895
  249    HB2  LEU  32           HB2      LEU  32  41.985  20.769  22.247
  250    HB3  LEU  32           HB3      LEU  32  40.868  21.277  23.505
  251    HG   LEU  32           HG       LEU  32  42.642  22.844  22.997
  252   HD11  LEU  32          HD11      LEU  32  43.246  23.547  25.182
  253   HD12  LEU  32          HD12      LEU  32  41.619  22.851  25.265
  254   HD13  LEU  32          HD13      LEU  32  43.026  21.929  25.855
  255   HD21  LEU  32          HD21      LEU  32  44.957  22.533  23.650
  256   HD22  LEU  32          HD22      LEU  32  44.608  20.862  24.166
  257   HD23  LEU  32          HD23      LEU  32  44.460  21.325  22.459
  258    H    LEU  33           H        LEU  33  39.681  19.933  25.043
  259    HA   LEU  33           HA       LEU  33  40.406  20.829  27.616
  260    HB2  LEU  33           HB2      LEU  33  37.860  19.621  26.434
  261    HB3  LEU  33           HB3      LEU  33  37.877  20.272  28.058
  262    HG   LEU  33           HG       LEU  33  38.663  21.889  25.611
  263   HD11  LEU  33          HD11      LEU  33  36.019  22.169  26.991
  264   HD12  LEU  33          HD12      LEU  33  36.592  22.938  25.513
  265   HD13  LEU  33          HD13      LEU  33  36.264  21.201  25.513
  266   HD21  LEU  33          HD21      LEU  33  39.569  22.870  27.634
  267   HD22  LEU  33          HD22      LEU  33  38.175  23.835  27.142
  268   HD23  LEU  33          HD23      LEU  33  38.003  22.682  28.474
  269    H    HIS  34           H        HIS  34  39.550  17.533  26.601
  270    HA   HIS  34           HA       HIS  34  40.040  16.352  29.225
  271    HB2  HIS  34           HB2      HIS  34  39.521  15.262  26.441
  272    HB3  HIS  34           HB3      HIS  34  40.054  14.215  27.755
  273    HD1  HIS  34           HD1      HIS  34  38.221  13.399  29.432
  274    HD2  HIS  34           HD2      HIS  34  37.086  16.652  27.012
  275    HE1  HIS  34           HE1      HIS  34  35.759  13.839  29.916
  276    H    ALA  35           H        ALA  35  42.023  16.982  26.263
  277    HA   ALA  35           HA       ALA  35  44.157  15.235  27.107
  278    HB1  ALA  35           HB1      ALA  35  45.453  16.387  25.364
  279    HB2  ALA  35           HB2      ALA  35  43.837  15.965  24.775
  280    HB3  ALA  35           HB3      ALA  35  44.206  17.643  25.236
  281    H    ARG  36           H        ARG  36  43.363  18.558  27.853
  282    HA   ARG  36           HA       ARG  36  45.931  19.022  29.281
  283    HB2  ARG  36           HB2      ARG  36  43.868  20.981  28.212
  284    HB3  ARG  36           HB3      ARG  36  45.431  21.333  28.935
  285    HG2  ARG  36           HG2      ARG  36  45.043  19.814  26.331
  286    HG3  ARG  36           HG3      ARG  36  45.393  21.538  26.439
  287    HD2  ARG  36           HD2      ARG  36  47.565  21.195  27.234
  288    HD3  ARG  36           HD3      ARG  36  47.253  19.529  27.708
  289    HE   ARG  36           HE       ARG  36  47.456  20.489  24.872
  290   HH11  ARG  36          HH22      ARG  36  48.176  17.907  27.167
  291   HH12  ARG  36          HH21      ARG  36  48.409  16.742  25.897
  292   HH21  ARG  36          HH12      ARG  36  47.833  18.991  23.327
  293   HH22  ARG  36          HH11      ARG  36  48.381  17.389  23.762
  294    H    THR  37           H        THR  37  43.321  17.944  30.389
  295    HA   THR  37           HA       THR  37  42.695  17.472  32.534
  296    HB   THR  37           HB       THR  37  43.900  19.768  33.889
  297    HG1  THR  37           HG1      THR  37  45.526  17.722  32.788
  298   HG21  THR  37          HG21      THR  37  44.465  18.115  35.612
  299   HG22  THR  37          HG22      THR  37  44.179  16.771  34.486
  300   HG23  THR  37          HG23      THR  37  42.832  17.758  35.063
  301    H    LYS  38           H        LYS  38  41.326  19.603  30.804
  302    HA   LYS  38           HA       LYS  38  40.381  21.515  32.840
  303    HB2  LYS  38           HB2      LYS  38  39.565  21.062  29.962
  304    HB3  LYS  38           HB3      LYS  38  38.633  22.033  31.091
  305    HG2  LYS  38           HG2      LYS  38  40.011  23.545  29.863
  306    HG3  LYS  38           HG3      LYS  38  40.603  23.503  31.496
  307    HD2  LYS  38           HD2      LYS  38  42.095  21.608  29.784
  308    HD3  LYS  38           HD3      LYS  38  42.073  23.227  29.089
  309    HE2  LYS  38           HE2      LYS  38  42.735  24.077  31.461
  310    HE3  LYS  38           HE3      LYS  38  43.071  22.379  31.812
  311    HZ1  LYS  38           HZ1      LYS  38  44.755  22.303  30.262
  312    HZ2  LYS  38           HZ2      LYS  38  44.536  23.819  29.648
  313    HZ3  LYS  38           HZ3      LYS  38  45.062  23.535  31.191
  314    H    ASP  39           H        ASP  39  39.126  20.983  34.376
  315    HA   ASP  39           HA       ASP  39  37.298  18.826  34.431
  316    HB2  ASP  39           HB2      ASP  39  38.065  20.124  36.474
  317    HB3  ASP  39           HB3      ASP  39  37.130  21.499  35.932
  318    H    ILE  40           H        ILE  40  35.980  18.613  32.740
  319    HA   ILE  40           HA       ILE  40  34.372  20.939  31.810
  320    HB   ILE  40           HB       ILE  40  36.449  20.478  30.541
  321   HG12  ILE  40          HG12      ILE  40  33.865  21.135  29.564
  322   HG13  ILE  40          HG13      ILE  40  35.437  21.626  29.009
  323   HG21  ILE  40          HG21      ILE  40  36.686  18.565  29.079
  324   HG22  ILE  40          HG22      ILE  40  36.460  18.002  30.727
  325   HG23  ILE  40          HG23      ILE  40  35.120  17.910  29.590
  326   HD11  ILE  40          HD11      ILE  40  35.508  19.753  27.405
  327   HD12  ILE  40          HD12      ILE  40  33.947  19.153  28.033
  328   HD13  ILE  40          HD13      ILE  40  34.035  20.709  27.198
  329    H    THR  41           H        THR  41  32.394  20.780  31.236
  330    HA   THR  41           HA       THR  41  31.061  18.123  30.861
  331    HB   THR  41           HB       THR  41  30.201  20.613  32.365
  332    HG1  THR  41           HG1      THR  41  29.605  18.418  33.621
  333   HG21  THR  41          HG21      THR  41  27.995  19.521  32.691
  334   HG22  THR  41          HG22      THR  41  28.422  18.328  31.436
  335   HG23  THR  41          HG23      THR  41  28.277  20.069  31.045
  336    H    VAL  42           H        VAL  42  30.489  17.954  28.712
  337    HA   VAL  42           HA       VAL  42  29.498  20.392  27.369
  338    HB   VAL  42           HB       VAL  42  31.110  19.882  26.012
  339   HG11  VAL  42          HG11      VAL  42  32.137  18.127  27.066
  340   HG12  VAL  42          HG12      VAL  42  30.914  16.947  26.472
  341   HG13  VAL  42          HG13      VAL  42  32.027  17.771  25.348
  342   HG21  VAL  42          HG21      VAL  42  29.100  19.791  24.616
  343   HG22  VAL  42          HG22      VAL  42  30.410  18.800  23.966
  344   HG23  VAL  42          HG23      VAL  42  29.061  18.017  24.804
  345    H    HIS  43           H        HIS  43  27.597  20.616  26.588
  346    HA   HIS  43           HA       HIS  43  25.579  18.456  26.948
  347    HB2  HIS  43           HB2      HIS  43  25.258  20.738  27.999
  348    HB3  HIS  43           HB3      HIS  43  25.187  21.409  26.384
  349    HD1  HIS  43           HD1      HIS  43  23.320  18.110  27.271
  350    HD2  HIS  43           HD2      HIS  43  22.649  22.226  26.657
  351    HE1  HIS  43           HE1      HIS  43  20.811  18.430  27.232
  352    H    TYR  44           H        TYR  44  24.816  17.413  25.209
  353    HA   TYR  44           HA       TYR  44  25.709  18.272  22.516
  354    HB2  TYR  44           HB2      TYR  44  24.686  15.660  23.639
  355    HB3  TYR  44           HB3      TYR  44  25.008  15.929  21.935
  356    HD1  TYR  44           HD2      TYR  44  27.498  17.334  21.725
  357    HD2  TYR  44           HD1      TYR  44  26.344  14.259  24.525
  358    HE1  TYR  44           HE2      TYR  44  29.891  16.761  22.088
  359    HE2  TYR  44           HE1      TYR  44  28.742  13.665  24.845
  360    HH   TYR  44           HH       TYR  44  31.369  15.480  23.197
  361    H    VAL  45           H        VAL  45  24.377  19.782  21.738
  362    HA   VAL  45           HA       VAL  45  21.541  19.616  22.353
  363    HB   VAL  45           HB       VAL  45  21.252  21.803  21.387
  364   HG11  VAL  45          HG11      VAL  45  23.644  21.628  23.245
  365   HG12  VAL  45          HG12      VAL  45  22.534  23.006  23.052
  366   HG13  VAL  45          HG13      VAL  45  21.935  21.493  23.742
  367   HG21  VAL  45          HG21      VAL  45  22.869  21.858  19.594
  368   HG22  VAL  45          HG22      VAL  45  23.246  23.143  20.736
  369   HG23  VAL  45          HG23      VAL  45  24.228  21.666  20.726
  370    H    ASP  46           H        ASP  46  22.980  17.882  20.090
  371    HA   ASP  46           HA       ASP  46  20.430  17.801  18.519
  372    HB2  ASP  46           HB2      ASP  46  22.312  18.274  17.076
  373    HB3  ASP  46           HB3      ASP  46  23.176  16.858  17.653
  374    H    LYS  47           H        LYS  47  22.604  15.950  20.645
  375    HA   LYS  47           HA       LYS  47  20.920  13.568  20.722
  376    HB2  LYS  47           HB2      LYS  47  22.667  14.848  22.866
  377    HB3  LYS  47           HB3      LYS  47  21.891  13.295  23.029
  378    HG2  LYS  47           HG2      LYS  47  23.946  13.939  20.877
  379    HG3  LYS  47           HG3      LYS  47  24.350  13.237  22.436
  380    HD2  LYS  47           HD2      LYS  47  22.495  11.940  20.401
  381    HD3  LYS  47           HD3      LYS  47  24.216  11.593  20.566
  382    HE2  LYS  47           HE2      LYS  47  23.941  10.777  22.833
  383    HE3  LYS  47           HE3      LYS  47  22.245  11.273  22.870
  384    HZ1  LYS  47           HZ1      LYS  47  22.536   8.894  22.426
  385    HZ2  LYS  47           HZ2      LYS  47  21.727   9.635  21.212
  386    HZ3  LYS  47           HZ3      LYS  47  23.310   9.231  21.009
  387    H    MET  48           H        MET  48  20.815  16.734  22.275
  388    HA   MET  48           HA       MET  48  18.444  16.125  23.880
  389    HB2  MET  48           HB2      MET  48  20.393  17.573  24.581
  390    HB3  MET  48           HB3      MET  48  19.887  18.748  23.367
  391    HG2  MET  48           HG2      MET  48  19.055  19.499  25.425
  392    HG3  MET  48           HG3      MET  48  17.663  18.889  24.531
  393    HE1  MET  48           HE1      MET  48  18.487  19.579  27.679
  394    HE2  MET  48           HE2      MET  48  16.766  19.240  27.409
  395    HE3  MET  48           HE3      MET  48  17.660  18.340  28.650
  396    H    SER  49           H        SER  49  16.455  16.012  22.846
  397    HA   SER  49           HA       SER  49  15.747  17.389  20.443
  398    HB2  SER  49           HB2      SER  49  13.942  16.278  22.612
  399    HB3  SER  49           HB3      SER  49  13.471  16.681  20.949
  400    HG   SER  49           HG       SER  49  14.057  14.405  21.470
  401    H    GLU  50           H        GLU  50  15.557  18.402  23.803
  402    HA   GLU  50           HA       GLU  50  14.169  20.881  23.421
  403    HB2  GLU  50           HB2      GLU  50  14.767  19.596  25.593
  404    HB3  GLU  50           HB3      GLU  50  16.362  20.346  25.479
  405    HG2  GLU  50           HG2      GLU  50  15.540  22.494  25.952
  406    HG3  GLU  50           HG3      GLU  50  13.883  22.061  25.524
  407    H    GLY  51           H        GLY  51  17.263  19.967  22.316
  408    HA2  GLY  51           HA2      GLY  51  19.002  22.008  22.809
  409    HA3  GLY  51           HA3      GLY  51  18.978  21.036  21.343
  410    H    GLU  52           H        GLU  52  16.258  22.337  20.621
  411    HA   GLU  52           HA       GLU  52  17.347  24.582  19.070
  412    HB2  GLU  52           HB2      GLU  52  14.518  23.550  19.543
  413    HB3  GLU  52           HB3      GLU  52  14.896  24.932  18.502
  414    HG2  GLU  52           HG2      GLU  52  16.274  23.547  17.043
  415    HG3  GLU  52           HG3      GLU  52  16.053  22.141  18.094
  416    H    GLN  53           H        GLN  53  15.561  24.281  22.148
  417    HA   GLN  53           HA       GLN  53  15.129  27.139  22.495
  418    HB2  GLN  53           HB2      GLN  53  13.716  25.482  23.621
  419    HB3  GLN  53           HB3      GLN  53  15.114  24.821  24.487
  420    HG2  GLN  53           HG2      GLN  53  15.430  26.920  25.699
  421    HG3  GLN  53           HG3      GLN  53  14.195  27.710  24.725
  422   HE21  GLN  53          HE21      GLN  53  13.651  28.204  27.089
  423   HE22  GLN  53          HE22      GLN  53  12.379  27.182  27.754
  424    H    LEU  54           H        LEU  54  17.624  24.790  23.591
  425    HA   LEU  54           HA       LEU  54  19.123  26.757  25.079
  426    HB2  LEU  54           HB2      LEU  54  20.116  24.104  23.967
  427    HB3  LEU  54           HB3      LEU  54  20.891  25.094  25.174
  428    HG   LEU  54           HG       LEU  54  20.021  23.626  26.631
  429   HD11  LEU  54          HD11      LEU  54  18.573  25.682  27.140
  430   HD12  LEU  54          HD12      LEU  54  17.289  24.884  26.212
  431   HD13  LEU  54          HD13      LEU  54  17.953  24.122  27.666
  432   HD21  LEU  54          HD21      LEU  54  19.360  22.078  24.987
  433   HD22  LEU  54          HD22      LEU  54  18.141  22.164  26.262
  434   HD23  LEU  54          HD23      LEU  54  17.836  22.973  24.709
  435    H    ARG  55           H        ARG  55  19.420  25.557  21.710
  436    HA   ARG  55           HA       ARG  55  21.637  27.179  20.866
  437    HB2  ARG  55           HB2      ARG  55  19.167  26.069  19.468
  438    HB3  ARG  55           HB3      ARG  55  20.329  27.075  18.604
  439    HG2  ARG  55           HG2      ARG  55  22.089  25.517  18.845
  440    HG3  ARG  55           HG3      ARG  55  21.268  24.626  20.120
  441    HD2  ARG  55           HD2      ARG  55  21.274  23.411  17.977
  442    HD3  ARG  55           HD3      ARG  55  19.653  23.721  18.598
  443    HE   ARG  55           HE       ARG  55  20.480  25.755  16.664
  444   HH11  ARG  55          HH22      ARG  55  19.389  22.420  16.713
  445   HH12  ARG  55          HH21      ARG  55  18.393  22.652  15.287
  446   HH21  ARG  55          HH12      ARG  55  19.486  25.878  14.790
  447   HH22  ARG  55          HH11      ARG  55  18.597  24.516  14.123
  448    H    GLY  56           H        GLY  56  18.152  27.965  21.080
  449    HA2  GLY  56           HA2      GLY  56  18.251  30.591  20.031
  450    HA3  GLY  56           HA3      GLY  56  17.093  29.994  21.231
  451    H    GLU  57           H        GLU  57  18.901  29.486  23.421
  452    HA   GLU  57           HA       GLU  57  19.213  32.121  24.534
  453    HB2  GLU  57           HB2      GLU  57  20.397  29.473  25.389
  454    HB3  GLU  57           HB3      GLU  57  20.530  30.973  26.300
  455    HG2  GLU  57           HG2      GLU  57  17.929  29.562  25.566
  456    HG3  GLU  57           HG3      GLU  57  18.734  29.576  27.124
  457    H    ILE  58           H        ILE  58  21.580  29.963  22.927
  458    HA   ILE  58           HA       ILE  58  23.824  31.772  23.302
  459    HB   ILE  58           HB       ILE  58  23.526  29.658  21.134
  460   HG12  ILE  58          HG12      ILE  58  24.728  29.313  23.926
  461   HG13  ILE  58          HG13      ILE  58  23.168  28.668  23.420
  462   HG21  ILE  58          HG21      ILE  58  25.968  29.698  21.081
  463   HG22  ILE  58          HG22      ILE  58  25.407  31.346  20.895
  464   HG23  ILE  58          HG23      ILE  58  26.029  30.812  22.469
  465   HD11  ILE  58          HD11      ILE  58  24.733  26.883  23.331
  466   HD12  ILE  58          HD12      ILE  58  24.300  27.304  21.663
  467   HD13  ILE  58          HD13      ILE  58  25.868  27.811  22.341
  468    H    TYR  59           H        TYR  59  21.463  31.249  20.624
  469    HA   TYR  59           HA       TYR  59  22.653  33.121  18.881
  470    HB2  TYR  59           HB2      TYR  59  20.756  31.308  18.519
  471    HB3  TYR  59           HB3      TYR  59  19.693  32.694  18.718
  472    HD1  TYR  59           HD2      TYR  59  20.165  34.782  17.181
  473    HD2  TYR  59           HD1      TYR  59  21.980  30.932  16.591
  474    HE1  TYR  59           HE2      TYR  59  20.825  35.455  14.867
  475    HE2  TYR  59           HE1      TYR  59  22.613  31.576  14.258
  476    HH   TYR  59           HH       TYR  59  21.822  34.789  12.906
  477    H    GLN  60           H        GLN  60  20.007  33.683  21.273
  478    HA   GLN  60           HA       GLN  60  19.595  36.387  20.450
  479    HB2  GLN  60           HB2      GLN  60  18.985  35.029  23.106
  480    HB3  GLN  60           HB3      GLN  60  18.435  36.649  22.675
  481    HG2  GLN  60           HG2      GLN  60  17.697  34.089  21.193
  482    HG3  GLN  60           HG3      GLN  60  16.677  34.948  22.322
  483   HE21  GLN  60          HE21      GLN  60  15.756  34.337  19.795
  484   HE22  GLN  60          HE22      GLN  60  15.649  35.798  18.840
  485    H    ALA  61           H        ALA  61  21.975  35.053  22.718
  486    HA   ALA  61           HA       ALA  61  22.877  37.729  23.540
  487    HB1  ALA  61           HB1      ALA  61  22.970  35.928  25.130
  488    HB2  ALA  61           HB2      ALA  61  23.946  34.932  24.029
  489    HB3  ALA  61           HB3      ALA  61  24.623  36.422  24.725
  490    H    TYR  62           H        TYR  62  24.143  35.131  21.368
  491    HA   TYR  62           HA       TYR  62  26.422  36.923  20.689
  492    HB2  TYR  62           HB2      TYR  62  26.299  33.899  20.761
  493    HB3  TYR  62           HB3      TYR  62  27.730  34.882  20.483
  494    HD1  TYR  62           HD2      TYR  62  28.189  36.747  22.366
  495    HD2  TYR  62           HD1      TYR  62  25.940  33.122  22.965
  496    HE1  TYR  62           HE2      TYR  62  28.534  36.935  24.819
  497    HE2  TYR  62           HE1      TYR  62  26.312  33.304  25.430
  498    HH   TYR  62           HH       TYR  62  28.056  36.090  26.858
  499    H    LYS  63           H        LYS  63  23.702  35.763  19.158
  500    HA   LYS  63           HA       LYS  63  23.065  35.182  17.118
  501    HB2  LYS  63           HB2      LYS  63  24.929  37.454  16.446
  502    HB3  LYS  63           HB3      LYS  63  23.892  36.700  15.233
  503    HG2  LYS  63           HG2      LYS  63  22.023  37.709  15.978
  504    HG3  LYS  63           HG3      LYS  63  22.327  37.253  17.641
  505    HD2  LYS  63           HD2      LYS  63  22.243  39.572  17.670
  506    HD3  LYS  63           HD3      LYS  63  23.959  39.165  17.827
  507    HE2  LYS  63           HE2      LYS  63  24.264  39.617  15.386
  508    HE3  LYS  63           HE3      LYS  63  22.530  39.969  15.247
  509    HZ1  LYS  63           HZ1      LYS  63  22.878  41.779  16.881
  510    HZ2  LYS  63           HZ2      LYS  63  24.499  41.508  16.853
  511    HZ3  LYS  63           HZ3      LYS  63  23.711  42.030  15.490
  512    H    HIS  64           H        HIS  64  24.682  33.363  18.071
  513    HA   HIS  64           HA       HIS  64  25.272  31.923  15.590
  514    HB2  HIS  64           HB2      HIS  64  27.182  31.977  17.972
  515    HB3  HIS  64           HB3      HIS  64  27.229  30.786  16.674
  516    HD1  HIS  64           HD1      HIS  64  27.777  31.835  14.143
  517    HD2  HIS  64           HD2      HIS  64  28.577  34.168  17.549
  518    HE1  HIS  64           HE1      HIS  64  29.398  33.664  13.399
  519    H    GLU  65           H        GLU  65  24.886  29.679  15.830
  520    HA   GLU  65           HA       GLU  65  23.591  28.817  18.405
  521    HB2  GLU  65           HB2      GLU  65  22.438  27.100  17.169
  522    HB3  GLU  65           HB3      GLU  65  22.035  28.708  16.585
  523    HG2  GLU  65           HG2      GLU  65  23.574  28.367  14.640
  524    HG3  GLU  65           HG3      GLU  65  23.933  26.737  15.232
  525    H    THR  66           H        THR  66  26.195  28.108  16.130
  526    HA   THR  66           HA       THR  66  27.451  26.548  18.278
  527    HB   THR  66           HB       THR  66  28.393  24.877  16.674
  528    HG1  THR  66           HG1      THR  66  26.858  24.521  14.873
  529   HG21  THR  66          HG21      THR  66  25.364  24.689  16.852
  530   HG22  THR  66          HG22      THR  66  26.474  24.313  18.186
  531   HG23  THR  66          HG23      THR  66  26.534  23.360  16.697
  532    H    VAL  67           H        VAL  67  29.659  26.526  18.197
  533    HA   VAL  67           HA       VAL  67  31.184  28.157  16.307
  534    HB   VAL  67           HB       VAL  67  30.875  29.028  19.193
  535   HG11  VAL  67          HG11      VAL  67  33.301  29.045  18.714
  536   HG12  VAL  67          HG12      VAL  67  33.000  29.904  17.190
  537   HG13  VAL  67          HG13      VAL  67  32.670  30.687  18.747
  538   HG21  VAL  67          HG21      VAL  67  29.268  30.062  17.729
  539   HG22  VAL  67          HG22      VAL  67  30.494  31.251  18.156
  540   HG23  VAL  67          HG23      VAL  67  30.535  30.485  16.554
  541    HA   PRO  68           HA       PRO  68  30.236  25.954  19.574
  542    HB2  PRO  68           HB2      PRO  68  31.304  24.658  21.645
  543    HB3  PRO  68           HB3      PRO  68  31.101  23.878  20.063
  544    HG2  PRO  68           HG2      PRO  68  33.617  25.229  21.122
  545    HG3  PRO  68           HG3      PRO  68  33.460  23.556  20.500
  546    HD2  PRO  68           HD2      PRO  68  34.254  25.604  18.893
  547    HD3  PRO  68           HD3      PRO  68  33.183  24.314  18.271
  548    H    ALA  69           H        ALA  69  29.604  26.685  21.706
  549    HA   ALA  69           HA       ALA  69  31.003  29.173  22.533
  550    HB1  ALA  69           HB1      ALA  69  28.595  29.318  22.019
  551    HB2  ALA  69           HB2      ALA  69  28.250  28.070  23.239
  552    HB3  ALA  69           HB3      ALA  69  28.904  29.646  23.732
  553    H    ILE  70           H        ILE  70  32.124  29.309  24.398
  554    HA   ILE  70           HA       ILE  70  32.281  26.898  26.161
  555    HB   ILE  70           HB       ILE  70  34.512  28.665  25.076
  556   HG12  ILE  70          HG12      ILE  70  34.174  25.703  24.474
  557   HG13  ILE  70          HG13      ILE  70  33.448  26.924  23.442
  558   HG21  ILE  70          HG21      ILE  70  35.054  27.905  27.333
  559   HG22  ILE  70          HG22      ILE  70  34.642  26.230  26.909
  560   HG23  ILE  70          HG23      ILE  70  36.047  27.030  26.178
  561   HD11  ILE  70          HD11      ILE  70  35.561  26.249  22.503
  562   HD12  ILE  70          HD12      ILE  70  35.633  27.949  23.001
  563   HD13  ILE  70          HD13      ILE  70  36.415  26.697  23.987
  564    H    PHE  71           H        PHE  71  32.143  27.287  28.289
  565    HA   PHE  71           HA       PHE  71  32.405  30.104  29.245
  566    HB2  PHE  71           HB2      PHE  71  30.280  28.087  29.997
  567    HB3  PHE  71           HB3      PHE  71  30.469  29.704  30.665
  568    HD1  PHE  71           HD1      PHE  71  29.569  27.764  27.627
  569    HD2  PHE  71           HD2      PHE  71  29.648  31.672  29.450
  570    HE1  PHE  71           HE1      PHE  71  28.118  28.645  25.819
  571    HE2  PHE  71           HE2      PHE  71  28.164  32.536  27.636
  572    HZ   PHE  71           HZ       PHE  71  27.391  30.999  25.830
  573    H    ILE  72           H        ILE  72  33.452  30.429  31.119
  574    HA   ILE  72           HA       ILE  72  34.202  28.095  32.827
  575    HB   ILE  72           HB       ILE  72  36.192  30.202  31.879
  576   HG12  ILE  72          HG12      ILE  72  35.772  27.328  30.985
  577   HG13  ILE  72          HG13      ILE  72  35.717  28.777  29.990
  578   HG21  ILE  72          HG21      ILE  72  36.615  29.334  34.170
  579   HG22  ILE  72          HG22      ILE  72  36.512  27.670  33.574
  580   HG23  ILE  72          HG23      ILE  72  37.828  28.741  33.057
  581   HD11  ILE  72          HD11      ILE  72  38.174  29.096  30.379
  582   HD12  ILE  72          HD12      ILE  72  38.201  27.514  31.208
  583   HD13  ILE  72          HD13      ILE  72  37.748  27.614  29.504
  584    H    ASN  73           H        ASN  73  33.599  28.515  34.858
  585    HA   ASN  73           HA       ASN  73  32.759  29.612  36.654
  586    HB2  ASN  73           HB2      ASN  73  35.237  31.311  36.171
  587    HB3  ASN  73           HB3      ASN  73  34.257  31.404  37.628
  588   HD21  ASN  73          HD21      ASN  73  37.051  30.689  37.498
  589   HD22  ASN  73          HD22      ASN  73  37.124  29.068  38.188
  590    H    GLY  74           H        GLY  74  31.359  30.275  34.371
  591    HA2  GLY  74           HA2      GLY  74  29.663  31.744  33.730
  592    HA3  GLY  74           HA3      GLY  74  30.014  32.719  35.126
  593    H    ASN  75           H        ASN  75  32.793  32.358  33.131
  594    HA   ASN  75           HA       ASN  75  32.383  34.999  31.801
  595    HB2  ASN  75           HB2      ASN  75  34.888  33.273  32.002
  596    HB3  ASN  75           HB3      ASN  75  34.813  34.917  31.426
  597   HD21  ASN  75          HD21      ASN  75  35.020  32.917  34.223
  598   HD22  ASN  75          HD22      ASN  75  35.357  34.288  35.300
  599    H    PHE  76           H        PHE  76  32.316  35.130  29.503
  600    HA   PHE  76           HA       PHE  76  32.002  32.555  28.049
  601    HB2  PHE  76           HB2      PHE  76  30.115  34.031  27.808
  602    HB3  PHE  76           HB3      PHE  76  31.159  35.389  27.417
  603    HD1  PHE  76           HD2      PHE  76  30.701  31.842  26.127
  604    HD2  PHE  76           HD1      PHE  76  31.121  36.029  25.177
  605    HE1  PHE  76           HE2      PHE  76  30.582  31.317  23.715
  606    HE2  PHE  76           HE1      PHE  76  31.006  35.489  22.763
  607    HZ   PHE  76           HZ       PHE  76  30.728  33.133  22.023
  608    H    ILE  77           H        ILE  77  33.274  31.838  26.530
  609    HA   ILE  77           HA       ILE  77  35.133  33.611  25.035
  610    HB   ILE  77           HB       ILE  77  35.713  30.829  26.131
  611   HG12  ILE  77          HG12      ILE  77  36.123  32.615  27.785
  612   HG13  ILE  77          HG13      ILE  77  37.578  31.763  27.316
  613   HG21  ILE  77          HG21      ILE  77  37.955  31.052  25.008
  614   HG22  ILE  77          HG22      ILE  77  36.605  30.846  23.895
  615   HG23  ILE  77          HG23      ILE  77  37.323  32.455  24.124
  616   HD11  ILE  77          HD11      ILE  77  36.795  34.509  26.242
  617   HD12  ILE  77          HD12      ILE  77  37.935  34.201  27.562
  618   HD13  ILE  77          HD13      ILE  77  38.313  33.642  25.928
  619    H    GLY  78           H        GLY  78  34.870  33.416  22.886
  620    HA2  GLY  78           HA2      GLY  78  33.593  30.915  21.786
  621    HA3  GLY  78           HA3      GLY  78  33.396  32.499  21.050
  622    H    GLY  79           H        GLY  79  35.099  29.698  20.899
  623    HA2  GLY  79           HA2      GLY  79  36.047  29.626  18.544
  624    HA3  GLY  79           HA3      GLY  79  37.177  30.848  19.102
  625    H    CYS  80           H        CYS  80  37.259  27.797  18.268
  626    HA   CYS  80           HA       CYS  80  38.376  26.362  20.481
  627    HB2  CYS  80           HB2      CYS  80  38.807  26.054  17.470
  628    HB3  CYS  80           HB3      CYS  80  39.327  24.881  18.698
  629    HG   CYS  80           HG       CYS  80  36.313  25.991  17.954
  630    H    SER  81           H        SER  81  39.958  28.416  18.023
  631    HA   SER  81           HA       SER  81  42.623  28.125  19.080
  632    HB2  SER  81           HB2      SER  81  42.984  30.241  17.687
  633    HB3  SER  81           HB3      SER  81  42.443  28.792  16.822
  634    HG   SER  81           HG       SER  81  41.326  30.748  16.261
  635    H    ASP  82           H        ASP  82  39.966  30.347  19.700
  636    HA   ASP  82           HA       ASP  82  41.284  32.227  21.338
  637    HB2  ASP  82           HB2      ASP  82  38.767  31.835  20.248
  638    HB3  ASP  82           HB3      ASP  82  38.418  31.621  21.941
  639    H    LEU  83           H        LEU  83  39.747  29.163  22.187
  640    HA   LEU  83           HA       LEU  83  40.186  29.245  25.050
  641    HB2  LEU  83           HB2      LEU  83  38.506  27.790  24.145
  642    HB3  LEU  83           HB3      LEU  83  39.620  27.103  22.973
  643    HG   LEU  83           HG       LEU  83  40.882  25.980  24.824
  644   HD11  LEU  83          HD11      LEU  83  39.802  25.753  27.025
  645   HD12  LEU  83          HD12      LEU  83  40.243  27.435  26.713
  646   HD13  LEU  83          HD13      LEU  83  38.549  26.923  26.546
  647   HD21  LEU  83          HD21      LEU  83  37.945  25.240  24.789
  648   HD22  LEU  83          HD22      LEU  83  39.099  24.860  23.488
  649   HD23  LEU  83          HD23      LEU  83  39.348  24.195  25.100
  650    H    GLU  84           H        GLU  84  42.025  27.694  22.353
  651    HA   GLU  84           HA       GLU  84  44.062  26.596  24.072
  652    HB2  GLU  84           HB2      GLU  84  44.038  27.215  21.089
  653    HB3  GLU  84           HB3      GLU  84  45.436  26.515  21.935
  654    HG2  GLU  84           HG2      GLU  84  44.123  24.627  22.693
  655    HG3  GLU  84           HG3      GLU  84  42.691  25.256  21.867
  656    H    ALA  85           H        ALA  85  43.701  29.769  22.571
  657    HA   ALA  85           HA       ALA  85  46.353  30.660  22.754
  658    HB1  ALA  85           HB1      ALA  85  44.545  31.870  21.562
  659    HB2  ALA  85           HB2      ALA  85  43.689  32.170  23.083
  660    HB3  ALA  85           HB3      ALA  85  45.251  32.952  22.772
  661    H    LEU  86           H        LEU  86  43.844  30.524  25.274
  662    HA   LEU  86           HA       LEU  86  45.485  31.804  27.334
  663    HB2  LEU  86           HB2      LEU  86  42.875  30.229  27.410
  664    HB3  LEU  86           HB3      LEU  86  43.632  30.915  28.845
  665    HG   LEU  86           HG       LEU  86  42.705  32.553  26.441
  666   HD11  LEU  86          HD11      LEU  86  41.474  32.216  29.211
  667   HD12  LEU  86          HD12      LEU  86  40.901  33.302  27.926
  668   HD13  LEU  86          HD13      LEU  86  40.828  31.550  27.689
  669   HD21  LEU  86          HD21      LEU  86  43.005  34.470  28.019
  670   HD22  LEU  86          HD22      LEU  86  43.758  33.379  29.188
  671   HD23  LEU  86          HD23      LEU  86  44.527  33.703  27.606
  672    H    ASP  87           H        ASP  87  44.998  28.491  26.255
  673    HA   ASP  87           HA       ASP  87  46.269  27.185  28.514
  674    HB2  ASP  87           HB2      ASP  87  44.737  26.163  26.714
  675    HB3  ASP  87           HB3      ASP  87  46.160  26.129  25.678
  676    H    LYS  88           H        LYS  88  47.430  28.316  25.348
  677    HA   LYS  88           HA       LYS  88  50.251  27.783  25.759
  678    HB2  LYS  88           HB2      LYS  88  48.619  29.484  23.839
  679    HB3  LYS  88           HB3      LYS  88  50.369  29.626  23.897
  680    HG2  LYS  88           HG2      LYS  88  49.826  28.167  22.130
  681    HG3  LYS  88           HG3      LYS  88  50.651  27.248  23.380
  682    HD2  LYS  88           HD2      LYS  88  48.560  26.162  24.051
  683    HD3  LYS  88           HD3      LYS  88  47.636  27.217  22.953
  684    HE2  LYS  88           HE2      LYS  88  48.673  26.369  21.002
  685    HE3  LYS  88           HE3      LYS  88  49.863  25.453  21.946
  686    HZ1  LYS  88           HZ1      LYS  88  47.847  24.180  22.833
  687    HZ2  LYS  88           HZ2      LYS  88  47.017  24.768  21.505
  688    HZ3  LYS  88           HZ3      LYS  88  48.354  23.848  21.329
  689    H    GLU  89           H        GLU  89  48.259  30.669  26.481
  690    HA   GLU  89           HA       GLU  89  50.571  32.214  27.379
  691    HB2  GLU  89           HB2      GLU  89  47.572  32.650  27.452
  692    HB3  GLU  89           HB3      GLU  89  48.672  33.723  28.315
  693    HG2  GLU  89           HG2      GLU  89  49.909  34.230  26.299
  694    HG3  GLU  89           HG3      GLU  89  48.949  33.100  25.365
  695    H    GLY  90           H        GLY  90  49.048  29.639  28.926
  696    HA2  GLY  90           HA2      GLY  90  49.555  28.776  31.011
  697    HA3  GLY  90           HA3      GLY  90  50.533  30.200  31.358
  698    H    LYS  91           H        LYS  91  47.214  30.808  30.434
  699    HA   LYS  91           HA       LYS  91  46.604  31.742  33.205
  700    HB2  LYS  91           HB2      LYS  91  45.898  32.613  30.391
  701    HB3  LYS  91           HB3      LYS  91  44.822  33.001  31.721
  702    HG2  LYS  91           HG2      LYS  91  46.688  34.052  32.968
  703    HG3  LYS  91           HG3      LYS  91  47.783  33.702  31.629
  704    HD2  LYS  91           HD2      LYS  91  45.302  35.468  31.434
  705    HD3  LYS  91           HD3      LYS  91  46.934  36.072  31.751
  706    HE2  LYS  91           HE2      LYS  91  47.736  35.175  29.611
  707    HE3  LYS  91           HE3      LYS  91  46.129  34.514  29.257
  708    HZ1  LYS  91           HZ1      LYS  91  45.260  36.764  29.253
  709    HZ2  LYS  91           HZ2      LYS  91  46.726  37.402  29.603
  710    HZ3  LYS  91           HZ3      LYS  91  46.486  36.637  28.163
  711    H    LEU  92           H        LEU  92  45.748  29.211  31.092
  712    HA   LEU  92           HA       LEU  92  43.017  28.903  32.081
  713    HB2  LEU  92           HB2      LEU  92  43.926  28.333  29.763
  714    HB3  LEU  92           HB3      LEU  92  44.742  26.964  30.493
  715    HG   LEU  92           HG       LEU  92  42.621  25.965  31.140
  716   HD11  LEU  92          HD11      LEU  92  40.456  26.908  30.251
  717   HD12  LEU  92          HD12      LEU  92  41.148  27.824  31.577
  718   HD13  LEU  92          HD13      LEU  92  41.314  28.424  29.905
  719   HD21  LEU  92          HD21      LEU  92  42.582  26.953  28.243
  720   HD22  LEU  92          HD22      LEU  92  43.475  25.551  28.839
  721   HD23  LEU  92          HD23      LEU  92  41.703  25.542  28.853
  722    H    ASP  93           H        ASP  93  46.211  27.713  32.914
  723    HA   ASP  93           HA       ASP  93  45.437  25.787  34.882
  724    HB2  ASP  93           HB2      ASP  93  47.835  27.649  34.578
  725    HB3  ASP  93           HB3      ASP  93  47.701  26.473  35.882
  726    H    GLY  94           H        GLY  94  45.747  29.347  35.114
  727    HA2  GLY  94           HA2      GLY  94  45.100  29.591  37.916
  728    HA3  GLY  94           HA3      GLY  94  44.943  30.845  36.681
  729    H    LEU  95           H        LEU  95  43.115  29.052  35.059
  730    HA   LEU  95           HA       LEU  95  40.574  29.590  36.427
  731    HB2  LEU  95           HB2      LEU  95  41.365  28.548  33.691
  732    HB3  LEU  95           HB3      LEU  95  39.698  28.646  34.231
  733    HG   LEU  95           HG       LEU  95  41.591  31.041  34.098
  734   HD11  LEU  95          HD11      LEU  95  41.220  30.204  31.833
  735   HD12  LEU  95          HD12      LEU  95  39.462  30.175  32.106
  736   HD13  LEU  95          HD13      LEU  95  40.348  31.713  32.079
  737   HD21  LEU  95          HD21      LEU  95  39.735  31.412  35.636
  738   HD22  LEU  95          HD22      LEU  95  39.494  32.364  34.173
  739   HD23  LEU  95          HD23      LEU  95  38.563  30.871  34.414
  740    H    LEU  96           H        LEU  96  42.634  26.776  35.852
  741    HA   LEU  96           HA       LEU  96  40.675  24.941  37.074
  742    HB2  LEU  96           HB2      LEU  96  43.528  24.566  36.153
  743    HB3  LEU  96           HB3      LEU  96  42.556  23.243  36.802
  744    HG   LEU  96           HG       LEU  96  42.052  24.736  34.213
  745   HD11  LEU  96          HD11      LEU  96  43.721  22.960  34.129
  746   HD12  LEU  96          HD12      LEU  96  42.681  21.864  35.061
  747   HD13  LEU  96          HD13      LEU  96  42.212  22.319  33.440
  748   HD21  LEU  96          HD21      LEU  96  39.840  24.392  35.228
  749   HD22  LEU  96          HD22      LEU  96  40.084  23.307  33.894
  750   HD23  LEU  96          HD23      LEU  96  40.247  22.686  35.561
  751    H    SER  97           H        SER  97  41.714  27.242  38.556
  752    HA   SER  97           HA       SER  97  42.739  26.243  41.100
  753    HB2  SER  97           HB2      SER  97  42.609  28.677  40.163
  754    HB3  SER  97           HB3      SER  97  40.923  28.645  40.717
  755    HG   SER  97           HG       SER  97  43.357  28.556  42.118